Mercurial > repos > recetox > ms2deepscore_training

comparison test-data/Model_Parameter_JSON.json @ 0:0a0529822d91 draft default tip

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ms2deepscore commit 4bd610e0cbbcbed51a6bfb880179777fc8034fd6
author recetox
date Mon, 02 Sep 2024 12:12:30 +0000
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-1:000000000000 0:0a0529822d91
1 {
2 "base_dims": [
3 20,
4 20
5 ],
6 "embedding_dim": 15,
7 "ionisation_mode": "negative",
8 "train_binning_layer": false,
9 "train_binning_layer_group_size": 20,
10 "train_binning_layer_output_per_group": 2,
11 "dropout_rate": 0.0,
12 "learning_rate": 0.00025,
13 "epochs": 2,
14 "patience": 20,
15 "loss_function": "mse",
16 "weighting_factor": 0,
17 "model_file_name": "ms2deepscore_model.pt",
18 "history_plot_file_name": "history.svg",
19 "time_stamp": "2024_08_16_07_50_22",
20 "min_mz": 10,
21 "max_mz": 1000,
22 "mz_bin_width": 0.1,
23 "intensity_scaling": 0.5,
24 "additional_metadata": [],
25 "batch_size": 2,
26 "num_turns": 1,
27 "shuffle": true,
28 "use_fixed_set": false,
29 "average_pairs_per_bin": 2,
30 "max_pairs_per_bin": 100,
31 "same_prob_bins": [
32 [
33 0.0,
34 0.2
35 ],
36 [
37 0.2,
38 1.0
39 ]
40 ],
41 "include_diagonal": true,
42 "random_seed": 42,
43 "fingerprint_type": "daylight",
44 "fingerprint_nbits": 2048,
45 "augment_removal_max": 0.2,
46 "augment_removal_intensity": 0.2,
47 "augment_intensity": 0.2,
48 "augment_noise_max": 10,
49 "augment_noise_intensity": 0.02
50 }