Mercurial > repos > bgruening > sklearn_data_preprocess
annotate keras_train_and_eval.py @ 46:761269451e98 draft default tip
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 57a0433defa3cbc37ab34fbb0ebcfaeb680db8d5
author | bgruening |
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date | Sun, 05 Nov 2023 15:52:21 +0000 |
parents | 29e863d1491e |
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eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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1 import argparse |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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2 import json |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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3 import os |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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4 import warnings |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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5 from itertools import chain |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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6 |
36
b75cae00f980
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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7 import joblib |
b75cae00f980
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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8 import numpy as np |
b75cae00f980
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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9 import pandas as pd |
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a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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10 from galaxy_ml.keras_galaxy_models import ( |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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11 _predict_generator, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
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12 KerasGBatchClassifier, |
45
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
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13 KerasGClassifier, |
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
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14 KerasGRegressor |
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a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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15 ) |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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16 from galaxy_ml.model_persist import dump_model_to_h5, load_model_from_h5 |
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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17 from galaxy_ml.model_validations import train_test_split |
41
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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18 from galaxy_ml.utils import ( |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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19 clean_params, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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20 gen_compute_scores, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
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21 get_main_estimator, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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22 get_module, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
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23 get_scoring, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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24 read_columns, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
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25 SafeEval |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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26 ) |
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b75cae00f980
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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27 from scipy.io import mmread |
41
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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28 from sklearn.metrics._scorer import _check_multimetric_scoring |
36
b75cae00f980
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 208a8d348e7c7a182cfbe1b6f17868146428a7e2"
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29 from sklearn.model_selection._validation import _score |
41
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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30 from sklearn.utils import _safe_indexing, indexable |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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31 |
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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32 N_JOBS = int(os.environ.get("GALAXY_SLOTS", 1)) |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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33 CACHE_DIR = os.path.join(os.getcwd(), "cached") |
41
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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34 NON_SEARCHABLE = ( |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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35 "n_jobs", |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
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36 "pre_dispatch", |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
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37 "memory", |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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38 "_path", |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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39 "_dir", |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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40 "nthread", |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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41 "callbacks", |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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42 ) |
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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43 ALLOWED_CALLBACKS = ( |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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44 "EarlyStopping", |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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45 "TerminateOnNaN", |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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46 "ReduceLROnPlateau", |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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47 "CSVLogger", |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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48 "None", |
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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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49 ) |
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50 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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51 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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52 def _eval_swap_params(params_builder): |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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53 swap_params = {} |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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54 |
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55 for p in params_builder["param_set"]: |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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56 swap_value = p["sp_value"].strip() |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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57 if swap_value == "": |
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58 continue |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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59 |
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60 param_name = p["sp_name"] |
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61 if param_name.lower().endswith(NON_SEARCHABLE): |
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62 warnings.warn( |
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63 "Warning: `%s` is not eligible for search and was " |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
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64 "omitted!" % param_name |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
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65 ) |
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66 continue |
eb79bde99328
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67 |
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68 if not swap_value.startswith(":"): |
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69 safe_eval = SafeEval(load_scipy=True, load_numpy=True) |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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70 ev = safe_eval(swap_value) |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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71 else: |
eb79bde99328
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72 # Have `:` before search list, asks for estimator evaluatio |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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73 safe_eval_es = SafeEval(load_estimators=True) |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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74 swap_value = swap_value[1:].strip() |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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75 # TODO maybe add regular express check |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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76 ev = safe_eval_es(swap_value) |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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77 |
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78 swap_params[param_name] = ev |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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79 |
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80 return swap_params |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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81 |
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82 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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83 def train_test_split_none(*arrays, **kwargs): |
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84 """extend train_test_split to take None arrays |
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85 and support split by group names. |
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86 """ |
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87 nones = [] |
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88 new_arrays = [] |
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89 for idx, arr in enumerate(arrays): |
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90 if arr is None: |
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91 nones.append(idx) |
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92 else: |
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93 new_arrays.append(arr) |
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94 |
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95 if kwargs["shuffle"] == "None": |
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96 kwargs["shuffle"] = None |
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97 |
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98 group_names = kwargs.pop("group_names", None) |
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99 |
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100 if group_names is not None and group_names.strip(): |
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101 group_names = [name.strip() for name in group_names.split(",")] |
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102 new_arrays = indexable(*new_arrays) |
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103 groups = kwargs["labels"] |
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104 n_samples = new_arrays[0].shape[0] |
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105 index_arr = np.arange(n_samples) |
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106 test = index_arr[np.isin(groups, group_names)] |
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107 train = index_arr[~np.isin(groups, group_names)] |
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108 rval = list( |
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109 chain.from_iterable( |
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110 (_safe_indexing(a, train), _safe_indexing(a, test)) for a in new_arrays |
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111 ) |
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112 ) |
31
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113 else: |
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114 rval = train_test_split(*new_arrays, **kwargs) |
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115 |
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116 for pos in nones: |
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117 rval[pos * 2: 2] = [None, None] |
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118 |
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119 return rval |
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120 |
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121 |
41
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122 def _evaluate_keras_and_sklearn_scores( |
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123 estimator, |
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124 data_generator, |
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125 X, |
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126 y=None, |
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127 sk_scoring=None, |
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128 steps=None, |
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129 batch_size=32, |
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130 return_predictions=False, |
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131 ): |
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132 """output scores for bother keras and sklearn metrics |
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133 |
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134 Parameters |
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135 ----------- |
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136 estimator : object |
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137 Fitted `galaxy_ml.keras_galaxy_models.KerasGBatchClassifier`. |
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138 data_generator : object |
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139 From `galaxy_ml.preprocessors.ImageDataFrameBatchGenerator`. |
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140 X : 2-D array |
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141 Contains indecies of images that need to be evaluated. |
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142 y : None |
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143 Target value. |
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144 sk_scoring : dict |
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145 Galaxy tool input parameters. |
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146 steps : integer or None |
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147 Evaluation/prediction steps before stop. |
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148 batch_size : integer |
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149 Number of samples in a batch |
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150 return_predictions : bool, default is False |
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151 Whether to return predictions and true labels. |
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152 """ |
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153 scores = {} |
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154 |
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155 generator = data_generator.flow(X, y=y, batch_size=batch_size) |
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156 # keras metrics evaluation |
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157 # handle scorer, convert to scorer dict |
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158 generator.reset() |
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159 score_results = estimator.model_.evaluate_generator(generator, steps=steps) |
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160 metrics_names = estimator.model_.metrics_names |
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161 if not isinstance(metrics_names, list): |
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162 scores[metrics_names] = score_results |
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163 else: |
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164 scores = dict(zip(metrics_names, score_results)) |
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165 |
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166 if sk_scoring["primary_scoring"] == "default" and not return_predictions: |
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167 return scores |
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168 |
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169 generator.reset() |
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170 predictions, y_true = _predict_generator(estimator.model_, generator, steps=steps) |
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171 |
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172 # for sklearn metrics |
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173 if sk_scoring["primary_scoring"] != "default": |
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174 scorer = get_scoring(sk_scoring) |
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175 if not isinstance(scorer, (dict, list)): |
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176 scorer = [sk_scoring["primary_scoring"]] |
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177 scorer = _check_multimetric_scoring(estimator, scoring=scorer) |
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178 sk_scores = gen_compute_scores(y_true, predictions, scorer) |
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179 scores.update(sk_scores) |
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180 |
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181 if return_predictions: |
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182 return scores, predictions, y_true |
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183 else: |
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184 return scores, None, None |
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185 |
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186 |
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187 def main( |
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188 inputs, |
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189 infile_estimator, |
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190 infile1, |
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191 infile2, |
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192 outfile_result, |
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193 outfile_history=None, |
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194 outfile_object=None, |
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195 outfile_y_true=None, |
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196 outfile_y_preds=None, |
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197 groups=None, |
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198 ref_seq=None, |
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199 intervals=None, |
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200 targets=None, |
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201 fasta_path=None, |
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202 ): |
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203 """ |
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204 Parameter |
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205 --------- |
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206 inputs : str |
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207 File path to galaxy tool parameter. |
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208 |
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209 infile_estimator : str |
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210 File path to estimator. |
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211 |
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212 infile1 : str |
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213 File path to dataset containing features. |
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214 |
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215 infile2 : str |
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216 File path to dataset containing target values. |
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217 |
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218 outfile_result : str |
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219 File path to save the results, either cv_results or test result. |
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220 |
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221 outfile_history : str, optional |
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222 File path to save the training history. |
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223 |
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224 outfile_object : str, optional |
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225 File path to save searchCV object. |
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226 |
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227 outfile_y_true : str, optional |
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228 File path to target values for prediction. |
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229 |
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230 outfile_y_preds : str, optional |
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231 File path to save predictions. |
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232 |
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233 groups : str |
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234 File path to dataset containing groups labels. |
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235 |
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236 ref_seq : str |
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237 File path to dataset containing genome sequence file. |
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238 |
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239 intervals : str |
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240 File path to dataset containing interval file. |
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241 |
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242 targets : str |
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243 File path to dataset compressed target bed file. |
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244 |
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245 fasta_path : str |
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246 File path to dataset containing fasta file. |
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247 """ |
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248 warnings.simplefilter("ignore") |
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249 |
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250 with open(inputs, "r") as param_handler: |
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251 params = json.load(param_handler) |
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252 |
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253 # load estimator |
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254 estimator = load_model_from_h5(infile_estimator) |
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255 |
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256 estimator = clean_params(estimator) |
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257 |
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258 # swap hyperparameter |
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259 swapping = params["experiment_schemes"]["hyperparams_swapping"] |
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260 swap_params = _eval_swap_params(swapping) |
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261 estimator.set_params(**swap_params) |
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262 estimator_params = estimator.get_params() |
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263 # store read dataframe object |
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264 loaded_df = {} |
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265 |
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266 input_type = params["input_options"]["selected_input"] |
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267 # tabular input |
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268 if input_type == "tabular": |
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269 header = "infer" if params["input_options"]["header1"] else None |
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270 column_option = params["input_options"]["column_selector_options_1"][ |
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271 "selected_column_selector_option" |
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272 ] |
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273 if column_option in [ |
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274 "by_index_number", |
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275 "all_but_by_index_number", |
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276 "by_header_name", |
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277 "all_but_by_header_name", |
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278 ]: |
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279 c = params["input_options"]["column_selector_options_1"]["col1"] |
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280 else: |
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281 c = None |
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282 |
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283 df_key = infile1 + repr(header) |
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284 df = pd.read_csv(infile1, sep="\t", header=header, parse_dates=True) |
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285 loaded_df[df_key] = df |
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286 |
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287 X = read_columns(df, c=c, c_option=column_option).astype(float) |
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288 # sparse input |
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289 elif input_type == "sparse": |
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290 X = mmread(open(infile1, "r")) |
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291 |
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292 # fasta_file input |
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293 elif input_type == "seq_fasta": |
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294 pyfaidx = get_module("pyfaidx") |
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295 sequences = pyfaidx.Fasta(fasta_path) |
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296 n_seqs = len(sequences.keys()) |
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297 X = np.arange(n_seqs)[:, np.newaxis] |
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298 for param in estimator_params.keys(): |
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299 if param.endswith("fasta_path"): |
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300 estimator.set_params(**{param: fasta_path}) |
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301 break |
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302 else: |
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303 raise ValueError( |
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304 "The selected estimator doesn't support " |
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305 "fasta file input! Please consider using " |
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306 "KerasGBatchClassifier with " |
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307 "FastaDNABatchGenerator/FastaProteinBatchGenerator " |
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308 "or having GenomeOneHotEncoder/ProteinOneHotEncoder " |
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309 "in pipeline!" |
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310 ) |
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311 |
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312 elif input_type == "refseq_and_interval": |
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313 path_params = { |
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314 "data_batch_generator__ref_genome_path": ref_seq, |
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315 "data_batch_generator__intervals_path": intervals, |
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316 "data_batch_generator__target_path": targets, |
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317 } |
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318 estimator.set_params(**path_params) |
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319 n_intervals = sum(1 for line in open(intervals)) |
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320 X = np.arange(n_intervals)[:, np.newaxis] |
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321 |
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322 # Get target y |
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323 header = "infer" if params["input_options"]["header2"] else None |
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324 column_option = params["input_options"]["column_selector_options_2"][ |
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325 "selected_column_selector_option2" |
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326 ] |
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327 if column_option in [ |
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328 "by_index_number", |
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329 "all_but_by_index_number", |
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330 "by_header_name", |
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331 "all_but_by_header_name", |
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332 ]: |
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333 c = params["input_options"]["column_selector_options_2"]["col2"] |
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changeset
|
334 else: |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
335 c = None |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
336 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
337 df_key = infile2 + repr(header) |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
338 if df_key in loaded_df: |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
339 infile2 = loaded_df[df_key] |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
340 else: |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
341 infile2 = pd.read_csv(infile2, sep="\t", header=header, parse_dates=True) |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
342 loaded_df[df_key] = infile2 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
343 |
37
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
344 y = read_columns( |
41
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
345 infile2, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
346 c=c, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
347 c_option=column_option, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
348 sep="\t", |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
349 header=header, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
350 parse_dates=True, |
37
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
351 ) |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
352 if len(y.shape) == 2 and y.shape[1] == 1: |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
353 y = y.ravel() |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
354 if input_type == "refseq_and_interval": |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
355 estimator.set_params(data_batch_generator__features=y.ravel().tolist()) |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
356 y = None |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
357 # end y |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
358 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
359 # load groups |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
360 if groups: |
37
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
361 groups_selector = ( |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
362 params["experiment_schemes"]["test_split"]["split_algos"] |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
363 ).pop("groups_selector") |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
364 |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
365 header = "infer" if groups_selector["header_g"] else None |
37
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
366 column_option = groups_selector["column_selector_options_g"][ |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
367 "selected_column_selector_option_g" |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
368 ] |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
369 if column_option in [ |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
370 "by_index_number", |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
371 "all_but_by_index_number", |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
372 "by_header_name", |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
373 "all_but_by_header_name", |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
374 ]: |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
375 c = groups_selector["column_selector_options_g"]["col_g"] |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
376 else: |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
377 c = None |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
378 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
379 df_key = groups + repr(header) |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
380 if df_key in loaded_df: |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
381 groups = loaded_df[df_key] |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
382 |
37
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
383 groups = read_columns( |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
384 groups, |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
385 c=c, |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
386 c_option=column_option, |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
387 sep="\t", |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
388 header=header, |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
389 parse_dates=True, |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
390 ) |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
391 groups = groups.ravel() |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
392 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
393 # del loaded_df |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
394 del loaded_df |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
395 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
396 # cache iraps_core fits could increase search speed significantly |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
397 memory = joblib.Memory(location=CACHE_DIR, verbose=0) |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
398 main_est = get_main_estimator(estimator) |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
399 if main_est.__class__.__name__ == "IRAPSClassifier": |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
400 main_est.set_params(memory=memory) |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
401 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
402 # handle scorer, convert to scorer dict |
37
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
403 scoring = params["experiment_schemes"]["metrics"]["scoring"] |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
404 scorer = get_scoring(scoring) |
45
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
bgruening
parents:
44
diff
changeset
|
405 |
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
bgruening
parents:
44
diff
changeset
|
406 # We get 'None' back from the call to 'get_scoring()' if |
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
bgruening
parents:
44
diff
changeset
|
407 # the primary scoring is 'default'. Replace 'default' with |
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
bgruening
parents:
44
diff
changeset
|
408 # the default scoring for classification/regression (accuracy/r2) |
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
bgruening
parents:
44
diff
changeset
|
409 if scorer is None: |
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
bgruening
parents:
44
diff
changeset
|
410 if isinstance(estimator, KerasGClassifier): |
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
bgruening
parents:
44
diff
changeset
|
411 scorer = ['accuracy'] |
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
bgruening
parents:
44
diff
changeset
|
412 if isinstance(estimator, KerasGRegressor): |
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
bgruening
parents:
44
diff
changeset
|
413 scorer = ['r2'] |
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
bgruening
parents:
44
diff
changeset
|
414 |
41
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
415 scorer = _check_multimetric_scoring(estimator, scoring=scorer) |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
416 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
417 # handle test (first) split |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
418 test_split_options = params["experiment_schemes"]["test_split"]["split_algos"] |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
419 |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
420 if test_split_options["shuffle"] == "group": |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
421 test_split_options["labels"] = groups |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
422 if test_split_options["shuffle"] == "stratified": |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
423 if y is not None: |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
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diff
changeset
|
424 test_split_options["labels"] = y |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
425 else: |
37
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
426 raise ValueError( |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
427 "Stratified shuffle split is not " "applicable on empty target values!" |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
428 ) |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
429 |
41
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
430 X_train, X_test, y_train, y_test, groups_train, groups_test = train_test_split_none( |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
431 X, y, groups, **test_split_options |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
432 ) |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
433 |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
434 exp_scheme = params["experiment_schemes"]["selected_exp_scheme"] |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
435 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
436 # handle validation (second) split |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
437 if exp_scheme == "train_val_test": |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
438 val_split_options = params["experiment_schemes"]["val_split"]["split_algos"] |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
439 |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
440 if val_split_options["shuffle"] == "group": |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
441 val_split_options["labels"] = groups_train |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
442 if val_split_options["shuffle"] == "stratified": |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
443 if y_train is not None: |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
444 val_split_options["labels"] = y_train |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
445 else: |
37
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
446 raise ValueError( |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
447 "Stratified shuffle split is not " |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
448 "applicable on empty target values!" |
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
449 ) |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
450 |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
451 ( |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
452 X_train, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
453 X_val, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
454 y_train, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
455 y_val, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
456 groups_train, |
41
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
457 groups_val, |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
458 ) = train_test_split_none(X_train, y_train, groups_train, **val_split_options) |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
459 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
460 # train and eval |
41
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
461 if hasattr(estimator, "config") and hasattr(estimator, "model_type"): |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
parents:
31
diff
changeset
|
462 if exp_scheme == "train_val_test": |
44
6c030fe29722
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 80417bf0158a9b596e485dd66408f738f405145a
bgruening
parents:
41
diff
changeset
|
463 history = estimator.fit(X_train, y_train, validation_data=(X_val, y_val)) |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
464 else: |
44
6c030fe29722
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 80417bf0158a9b596e485dd66408f738f405145a
bgruening
parents:
41
diff
changeset
|
465 history = estimator.fit(X_train, y_train, validation_data=(X_test, y_test)) |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
466 else: |
44
6c030fe29722
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 80417bf0158a9b596e485dd66408f738f405145a
bgruening
parents:
41
diff
changeset
|
467 history = estimator.fit(X_train, y_train) |
6c030fe29722
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 80417bf0158a9b596e485dd66408f738f405145a
bgruening
parents:
41
diff
changeset
|
468 if "callbacks" in estimator_params: |
6c030fe29722
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 80417bf0158a9b596e485dd66408f738f405145a
bgruening
parents:
41
diff
changeset
|
469 for cb in estimator_params["callbacks"]: |
6c030fe29722
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 80417bf0158a9b596e485dd66408f738f405145a
bgruening
parents:
41
diff
changeset
|
470 if cb["callback_selection"]["callback_type"] == "CSVLogger": |
6c030fe29722
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 80417bf0158a9b596e485dd66408f738f405145a
bgruening
parents:
41
diff
changeset
|
471 hist_df = pd.DataFrame(history.history) |
6c030fe29722
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 80417bf0158a9b596e485dd66408f738f405145a
bgruening
parents:
41
diff
changeset
|
472 hist_df["epoch"] = np.arange(1, estimator_params["epochs"] + 1) |
6c030fe29722
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 80417bf0158a9b596e485dd66408f738f405145a
bgruening
parents:
41
diff
changeset
|
473 epo_col = hist_df.pop('epoch') |
6c030fe29722
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 80417bf0158a9b596e485dd66408f738f405145a
bgruening
parents:
41
diff
changeset
|
474 hist_df.insert(0, 'epoch', epo_col) |
6c030fe29722
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 80417bf0158a9b596e485dd66408f738f405145a
bgruening
parents:
41
diff
changeset
|
475 hist_df.to_csv(path_or_buf=outfile_history, sep="\t", header=True, index=False) |
6c030fe29722
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 80417bf0158a9b596e485dd66408f738f405145a
bgruening
parents:
41
diff
changeset
|
476 break |
41
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
477 if isinstance(estimator, KerasGBatchClassifier): |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
478 scores = {} |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
479 steps = estimator.prediction_steps |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
480 batch_size = estimator.batch_size |
41
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
481 data_generator = estimator.data_generator_ |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
482 |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
483 scores, predictions, y_true = _evaluate_keras_and_sklearn_scores( |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
484 estimator, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
485 data_generator, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
486 X_test, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
487 y=y_test, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
488 sk_scoring=scoring, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
489 steps=steps, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
490 batch_size=batch_size, |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
491 return_predictions=bool(outfile_y_true), |
37
1bef885255e0
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ea12f973df4b97a2691d9e4ce6bf6fae59d57717"
bgruening
parents:
36
diff
changeset
|
492 ) |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
493 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
diff
changeset
|
494 else: |
41
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
495 scores = {} |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
496 if hasattr(estimator, "model_") and hasattr(estimator.model_, "metrics_names"): |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
497 batch_size = estimator.batch_size |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
bgruening
parents:
37
diff
changeset
|
498 score_results = estimator.model_.evaluate( |
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499 X_test, y=y_test, batch_size=batch_size, verbose=0 |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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500 ) |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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501 metrics_names = estimator.model_.metrics_names |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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502 if not isinstance(metrics_names, list): |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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503 scores[metrics_names] = score_results |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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504 else: |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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505 scores = dict(zip(metrics_names, score_results)) |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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506 |
35
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507 if hasattr(estimator, "predict_proba"): |
31
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508 predictions = estimator.predict_proba(X_test) |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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509 else: |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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510 predictions = estimator.predict(X_test) |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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511 |
45
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512 # Un-do OHE of the validation labels |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
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513 if len(y_test.shape) == 2: |
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
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514 rounded_test_labels = np.argmax(y_test, axis=1) |
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
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515 y_true = rounded_test_labels |
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
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516 sk_scores = _score(estimator, X_test, rounded_test_labels, scorer) |
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
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517 else: |
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
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518 y_true = y_test |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
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519 sk_scores = _score(estimator, X_test, y_true, scorer) |
29e863d1491e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5eca9041ce0154eded5aec07195502d5eb3cdd4f
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520 |
41
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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521 scores.update(sk_scores) |
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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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522 |
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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523 # handle output |
31
eb79bde99328
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524 if outfile_y_true: |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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525 try: |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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526 pd.DataFrame(y_true).to_csv(outfile_y_true, sep="\t", index=False) |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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527 pd.DataFrame(predictions).astype(np.float32).to_csv( |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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528 outfile_y_preds, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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529 sep="\t", |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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530 index=False, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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531 float_format="%g", |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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532 chunksize=10000, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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533 ) |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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534 except Exception as e: |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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535 print("Error in saving predictions: %s" % e) |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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|
536 # handle output |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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537 for name, score in scores.items(): |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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538 scores[name] = [score] |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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539 df = pd.DataFrame(scores) |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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540 df = df[sorted(df.columns)] |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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541 df.to_csv(path_or_buf=outfile_result, sep="\t", header=True, index=False) |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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|
542 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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543 memory.clear(warn=False) |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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|
544 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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|
545 if outfile_object: |
41
a16f33c6ca64
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 9981e25b00de29ed881b2229a173a8c812ded9bb
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546 dump_model_to_h5(estimator, outfile_object) |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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|
547 |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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|
548 |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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549 if __name__ == "__main__": |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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550 aparser = argparse.ArgumentParser() |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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551 aparser.add_argument("-i", "--inputs", dest="inputs", required=True) |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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552 aparser.add_argument("-e", "--estimator", dest="infile_estimator") |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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553 aparser.add_argument("-X", "--infile1", dest="infile1") |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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554 aparser.add_argument("-y", "--infile2", dest="infile2") |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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555 aparser.add_argument("-O", "--outfile_result", dest="outfile_result") |
44
6c030fe29722
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|
556 aparser.add_argument("-hi", "--outfile_history", dest="outfile_history") |
31
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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|
557 aparser.add_argument("-o", "--outfile_object", dest="outfile_object") |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
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558 aparser.add_argument("-l", "--outfile_y_true", dest="outfile_y_true") |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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559 aparser.add_argument("-p", "--outfile_y_preds", dest="outfile_y_preds") |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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|
560 aparser.add_argument("-g", "--groups", dest="groups") |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
parents:
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561 aparser.add_argument("-r", "--ref_seq", dest="ref_seq") |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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562 aparser.add_argument("-b", "--intervals", dest="intervals") |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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changeset
|
563 aparser.add_argument("-t", "--targets", dest="targets") |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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564 aparser.add_argument("-f", "--fasta_path", dest="fasta_path") |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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565 args = aparser.parse_args() |
eb79bde99328
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 5b2ac730ec6d3b762faa9034eddd19ad1b347476"
bgruening
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|
566 |
35
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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567 main( |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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568 args.inputs, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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|
569 args.infile_estimator, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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|
570 args.infile1, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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571 args.infile2, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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572 args.outfile_result, |
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6c030fe29722
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573 outfile_history=args.outfile_history, |
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0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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diff
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|
574 outfile_object=args.outfile_object, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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|
575 outfile_y_true=args.outfile_y_true, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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576 outfile_y_preds=args.outfile_y_preds, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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577 groups=args.groups, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
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|
578 ref_seq=args.ref_seq, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
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579 intervals=args.intervals, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
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580 targets=args.targets, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
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581 fasta_path=args.fasta_path, |
0e5fcf7ddc75
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit e2a5eade6d0e5ddf3a47630381a0ad90d80e8a04"
bgruening
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changeset
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582 ) |