annotate CHANGELOG.md @ 22:a41a2bcb0b91 draft default tip

Release v0.9.8
author althonos
date Fri, 09 Jun 2023 11:26:07 +0000
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1 # Changelog
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2 All notable changes to this project will be documented in this file.
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3
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4 The format is based on [Keep a Changelog](http://keepachangelog.com/en/1.0.0/)
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5 and this project adheres to [Semantic Versioning](http://semver.org/spec/v2.0.0.html).
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6
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7 ## [Unreleased]
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8 [Unreleased]: https://github.com/zellerlab/GECCO/compare/v0.9.8...master
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9
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10
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11 ## [v0.9.8] - 2023-06-09
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12 [v0.9.8]: https://github.com/zellerlab/GECCO/compare/v0.9.7...v0.9.8
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13
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14 ### Fixed
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15 - `ClusterTable.from_clusters` extracting cluster IDs in the wrong column.
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16 - Deprecation warnings in `polars.read_csv` and `polars.write_csv` with recent `polars` versions.
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17 - Deprecation warnings in `importlib_resources` with recent Python versions.
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19
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20 ## [v0.9.7] - 2023-05-26
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21 [v0.9.7]: https://github.com/zellerlab/GECCO/compare/v0.9.6...v0.9.7
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22
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23 ### Added
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24 - Command line option to annotate proteins using bitscore cutoffs from HMMs.
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25 - Command line option to disentangle overlapping domains after HMM annotation.
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26
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27 ### Changed
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28 - Bump `pyhmmer` dependency to `v0.8.0`.
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29 - Bump `pyrodigal` dependency to `v2.1.0`.
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30 - Rewrite `gecco.model` to use `polars` for managing tabular data.
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31 - Replace `pandas` dependencies with `polars`
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32 - Update `gecco run` to skip type classification for tasks without an assigned cluster type.
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33
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34 ### Fixed
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35 - `Cluster.to_seq_record` crashing when called on a cluster with `types` attribute unset.
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36 - Progress bar resetting when performing domain annotation with multiple HMMs.
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37
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38 ### Removed
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39 - Support for Python 3.7.
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41
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42 ## [v0.9.6] - 2023-01-11
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43 [v0.9.6]: https://github.com/zellerlab/GECCO/compare/v0.9.5...v0.9.6
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44
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45 ### Added
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46 - Gene Ontology annotations to `gecco.interpro` local metadata.
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47 - Reference to Gene Ontology terms and derived functions to `gecco.model.Domain` objects.
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48 - Gene color based on predicted function in `gecco.model.Gene.to_seq_feature`.
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49
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50 ### Fixed
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51 - Missing `gzip` import in the CLI preventing usage of gzip-compressed inputs.
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52 - Invalid coordinates of domains found in reverse-strand genes.
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53 - Detection of entry points with `importlib.metadata` on older Python versions.
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54
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55 ### Changed
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56 - `bgc_id` columns of cluster tables are renamed `cluster_id`.
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57 - `gecco.model.ProductType` is renamed to `gecco.model.ClusterType`.
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58 - Bumped `pyrodigal` dependency to `v2.0`.
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59 - Bumped `pyhmmer` dependency to `v0.7`.
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61
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62 ## [v0.9.5] - 2022-08-10
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63 [v0.9.5]: https://github.com/zellerlab/GECCO/compare/v0.9.4...v0.9.5
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64
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65 ### Added
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66 - `gecco predict` command to predict BGCs from an annotated genome.
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67 - `Protein.with_seq` function to assign a new sequence to a protein object.
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68
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69 ### Fixed
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70 - Issue with antiSMASH sideload JSON file generation in `gecco run` and `gecco predict`.
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71 - Make `gecco.orf` handle STOP codons consistently ([#9](https://github.com/zellerlab/GECCO/issues/9)).
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73
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74 ## [v0.9.4] - 2022-05-31
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75 [v0.9.4]: https://github.com/zellerlab/GECCO/compare/v0.9.3...v0.9.4
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77 ### Added
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78 - `classes_` property to `TypeClassifier` to access the `classes_` attribute of the `TypeBinarizer`.
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79 - Alternative ORF finder `CDSFinder` which simply extracts CDS features from input sequences ([#8](https://github.com/zellerlab/GECCO/issues/8)).
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80 - Support for annotating domains with "exclusive" HMMs to annotate genes with *at most* one HMM from the library.
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81
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82 ### Changed
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83 - `ProductType` is not restricted to MIBiG types anymore and can support any string as a base type identifier.
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84 - `PyrodigalFinder` now uses `multiprocessing.pool.ThreadPool` instead of custom thread code thanks to `OrfFinder.find_genes` reentrancy introduced in Pyrodigal `v1.0`.
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85 - `PyrodigalFinder` can now be used in single / non-meta mode from the API.
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86 - BUmped minimum `rich` version to `12.3` to use `None` total in progress bars when the size of an HMM library is unknown.
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87
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88 ### Fixed
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89 - Broken MyPy type annotations in the `gecco.model` and `gecco.cli` modules.
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92 ## [v0.9.3] - 2022-05-13
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93 [v0.9.3]: https://github.com/zellerlab/GECCO/compare/v0.9.2...v0.9.3
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95 ### Changed
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96 - `--format` flag of `gecco annotate` and `gecco run` CLI commands is now made lowercase before giving value to `Bio.SeqIO`.
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97
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98 ### Fixed
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99 - Genes with duplicate IDs being silently ignored in `HMMER.run`.
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100
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102 ## [v0.9.2] - 2022-04-11
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103 [v0.9.2]: https://github.com/zellerlab/GECCO/compare/v0.9.1...v0.9.2
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105 ### Added
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106 - Padding of short sequences with empty genes when predicting probabilities in `ClusterCRF`.
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107
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108 ## [v0.9.1] - 2022-04-05
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109 [v0.9.1]: https://github.com/zellerlab/GECCO/compare/v0.9.1-alpha4...v0.9.1
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110
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111 ### Changed
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112 - Make the `genes.tsv` and `features.tsv` table contain all genes even when they come from a contig too short to be processed by the CRF sliding window.
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113 - Replaced the `--force-clusters-tsv` flag with a `--force-tsv` flag to force writing TSV tables even when no genes or clusters were found in `gecco run` or `gecco annotate`.
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115 ## [v0.9.1-alpha4] - 2022-03-31
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116 [v0.9.1-alpha4]: https://github.com/zellerlab/GECCO/compare/v0.9.1-alpha3...v0.9.1-alpha4
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117
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118 Retrain internal model with:
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119 ```
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120 $ python -m gecco -vv train --c1 0.4 --c2 0 --select 0.25 --window-size 20 \
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121 -f mibig-2.0.proG2.Pfam-v35.0.features.tsv \
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122 -c mibig-2.0.proG2.clusters.tsv \
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123 -g GECCO-data/data/embeddings/mibig-2.0.proG2.genes.tsv \
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124 -o models/v0.9.1-alpha4
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125 ```
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126
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127 ## [v0.9.1-alpha3] - 2022-03-23
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128 [v0.9.1-alpha3]: https://github.com/zellerlab/GECCO/compare/v0.9.1-alpha2...v0.9.1-alpha3
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129
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130 ### Added
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131 - `gecco.model.GeneTable` class to store gene coordinates independently of protein domains.
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132
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133 ### Changed
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134 - Refactored implementation of `load` and `dump` methods for `Table` classes into a dedicated base class.
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135 - `gecco run` and `gecco annotate` now output a gene table in addition to the feature and cluster tables.
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136 - `gecco train` expects a gene table instead of a GFF file for the gene coordinates.
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137
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138 ## [v0.9.1-alpha2] - 2022-03-23
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139 [v0.9.1-alpha2]: https://github.com/zellerlab/GECCO/compare/v0.9.1-alpha1...v0.9.1-alpha2
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140
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141 ### Fixed
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142 - `TypeClassifier.trained` not being able to read unknown types from type tables.
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143
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144 ## [v0.9.1-alpha1] - 2022-03-20
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145 [v0.9.1-alpha1]: https://github.com/zellerlab/GECCO/compare/v0.8.10...v0.9.1-alpha1
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146 Candidate release with support for a sliding window in the CRF prediction algorithm.
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147
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148 ## [v0.8.10] - 2022-02-23
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149 [v0.8.10]: https://github.com/zellerlab/GECCO/compare/v0.8.9...v0.8.10
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150 ### Fixed
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151 - `--antismash-sideload` flag of `gecco run` causing command to crash.
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152
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153 ## [v0.8.9] - 2022-02-22
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154 [v0.8.9]: https://github.com/zellerlab/GECCO/compare/v0.8.8...v0.8.9
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155 ### Removed
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156 - Prediction and support for the *Other* biosynthetic type of MIBiG clusters.
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157
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158 ## [v0.8.8] - 2022-02-21
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159 [v0.8.8]: https://github.com/zellerlab/GECCO/compare/v0.8.7...v0.8.8
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160 ### Fixed
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161 - `ClusterRefiner` filtering method for edge genes not working as intended.
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parents: 6
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162 - `gecco run` and `gecco annotate` commands crashing on missing input files instead of nicely rendering the error.
5
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163
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164 ## [v0.8.7] - 2022-02-18
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165 [v0.8.7]: https://github.com/zellerlab/GECCO/compare/v0.8.6...v0.8.7
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166 ### Fixed
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167 - `interpro.json` metadata file not being included in distribution files.
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parents: 5
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168 - Missing docstring for `Protein.with_domains` method.
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169 ### Changed
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170 - Bump minimum `scikit-learn` version to `v1.0` for Python3.7+.
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171
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172 ## [v0.8.6] - 2022-02-17 - YANKED
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173 [v0.8.6]: https://github.com/zellerlab/GECCO/compare/v0.8.5...v0.8.6
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174 ### Added
169849dfb098 "Release v0.8.6"
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175 - CLI flag for enabling region masking for contigs processed by Prodigal.
169849dfb098 "Release v0.8.6"
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176 - CLI flag for controlling region distance used for edge distance filtering.
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177 ### Changed
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178 - `gecco.model.Gene` and `gecco.model.Protein` are now immutable data classes.
169849dfb098 "Release v0.8.6"
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179 - Bump minimum `pyrodigal` version to `v0.6.4` to use region masking.
169849dfb098 "Release v0.8.6"
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180 - Implement filtering for extracted clusters based on distance to the contig edge.
169849dfb098 "Release v0.8.6"
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181 - Store InterPro metadata file uncompressed for version-control integration.
169849dfb098 "Release v0.8.6"
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182 ### Fixed
169849dfb098 "Release v0.8.6"
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183 - Mark `BGC0000930` as `Terpene` in the type classifier data.
169849dfb098 "Release v0.8.6"
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184 - Progress bar messages are now in consistent format.
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185
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186 ## [v0.8.5] - 2021-11-21
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187 [v0.8.5]: https://github.com/zellerlab/GECCO/compare/v0.8.4...v0.8.5
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188 ### Added
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189 - Minimal compatibility support for running GECCO inside of Galaxy workflows.
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190
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191 ## [v0.8.4] - 2021-09-26
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192 [v0.8.4]: https://github.com/zellerlab/GECCO/compare/v0.8.3-post1...v0.8.4
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193 ### Fixed
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194 - `gecco convert gbk --format bigslice` failing to run because of outdated code ([#5](https://github.com/zellerlab/GECCO/issues/5)).
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195 - `gecco convert gbk --format bigslice` not creating files with names conforming to BiG-SLiCE expected input.
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196 ### Changed
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197 - Bump minimum `pyrodigal` version to `v0.6.2` to use platform-accelerated code if supported.
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198
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199 ## [v0.8.3-post1] - 2021-08-23
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200 [v0.8.3-post1]: https://github.com/zellerlab/GECCO/compare/v0.8.3...v0.8.3-post1
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201 ### Fixed
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202 - Wrong default value for `--threshold` being shown in `gecco run` help message.
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203
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204 ## [v0.8.3] - 2021-08-23
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205 [v0.8.3]: https://github.com/zellerlab/GECCO/compare/v0.8.2...v0.8.3
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206 ### Changed
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207 - Default probability threshold for segmentation to 0.3 (from 0.4).
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208
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209 ## [v0.8.2] - 2021-07-31
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210 [v0.8.2]: https://github.com/zellerlab/GECCO/compare/v0.8.1...v0.8.2
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211 ### Fixed
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212 - `gecco run` crashing on Python 3.6 because of missing `contextlib.nullcontext` class.
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213 ### Changed
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214 - `gecco run` and `gecco annotate` will not try to count the number of profiles when given an external HMM file with the `--hmm` flag.
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215 - `PyHMMER.run` now reports the *p-value* of each domain in addition to the *e-value* as a `/note` qualifier.
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216
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217 ## [v0.8.1] - 2021-07-29
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218 [v0.8.1]: https://github.com/zellerlab/GECCO/compare/v0.8.0...v0.8.1
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219 ### Changed
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220 - `gecco run` now filters out unneeded features before annotating, making it easier to analyze the results of a run with a custom `--model`.
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221 ### Fixed
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222 - `gecco` reporting about using Pfam `v33.1` while actually using `v34.0` because of an outdated field in `gecco/hmmer/Pfam.ini`.
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223 ### Added
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224 - Missing documentation for the `strand` attribute of `gecco.model.Gene`.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
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225
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226 ## [v0.8.0] - 2021-07-03
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227 [v0.8.0]: https://github.com/zellerlab/GECCO/compare/v0.7.0...v0.8.0
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228 ### Changed
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229 - Retrain internal model using new sequence embeddings and remove broken/duplicate BGCs from MIBiG 2.0.
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230 - Bump minimum `pyhmmer` version to `v0.4.0` to improve exception handling.
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231 - Bump minimum `pyrodigal` version to `v0.5.0` to fix sequence decoding on some platforms.
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232 - Use p-values instead of e-values to filter domains obtained with HMMER.
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233 - `gecco cv` and `gecco train` now seed the RNG with a user-defined seed before shuffling rows of training data.
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234 ### Fixed
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235 - Extraction of BGC compositions for the type predictor while training.
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236 - `ClusterCRF.trained` failing to open an external model.
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237 ### Added
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238 - `Domain.pvalue` attribute to access the p-value of a domain annotation.
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239 - Mandatory `pvalue` column to `FeatureTable` objects.
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240 - Support for loading several feature tables in `gecco train` and `gecco cv`.
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241 - Warnings to `ClusterCRF.fit` when selecting uninformative features.
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242 - `--correction` flag to `gecco train` and `gecco cv`, allowing to give a multiple testing correction method when computing p-values with the Fisher Exact Tests.
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243 ### Removed
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244 - Outdated `gecco embed` command.
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245 - Unused `--truncate` flag from the `gecco train` CLI.
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246 - Tigrfam domains, which is not improving performance on the new training data.
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247
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248 ## [v0.7.0] - 2021-05-31
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249 [v0.7.0]: https://github.com/zellerlab/GECCO/compare/v0.6.3...v0.7.0
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250 ### Added
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251 - Support for writing an AntiSMASH sideload JSON file after a `gecco run` workflow.
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252 - Code for converting GenBank files in BiG-SLiCE compatible format with the `gecco convert` subcommand.
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253 - Documentation about using GECCO in combination with AntiSMASH or BiG-SLiCE.
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254 ### Changed
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255 - Minimum Biopython version to `v1.73` for compatibility with older bioinformatics tooling.
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256 - Internal domain composition shipped in the `gecco.types` with newer composition array obtained directly from MIBiG files.
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257 ### Removed
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258 - Outdated notice about `-vvv` verbosity level in the help message of the main `gecco` command.
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259
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260 ## [v0.6.3] - 2021-05-10
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261 [v0.6.3]: https://github.com/zellerlab/GECCO/compare/v0.6.2...v0.6.3
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262 ### Fixed
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263 - HMMER annotation not properly handling inputs with multiple contigs.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
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264 - Some progress bar totals displaying as floats in the CLI.
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265 ### Changed
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266 - `PyHMMER` now sets the `Z` and `domZ` values from the number of proteins given to the search pipeline.
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267 - `gecco.cli` delegates imports to make CLI more responsive.
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268 - `pkg_resources` has been replaced with `importlib.resources` and `importlib.metadata` where applicable.
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269 - `multiprocessing.cpu_count` has been replaced with `os.cpu_count` where applicable.
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270
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271 ## [v0.6.2] - 2021-05-04
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272 [v0.6.2]: https://github.com/zellerlab/GECCO/compare/v0.6.1...v0.6.2
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273 ### Fixed
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274 - `gecco cv loto` crashing because of outdated code.
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275 ### Changed
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276 - Logging-style prompt will only display if GECCO is running with `-vv` flag.
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277 ### Added
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278 - GECCO bioRxiv paper reference to `Cluster.to_seq_record` output record.
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279
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280 ## [v0.6.1] - 2021-03-15
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281 [v0.6.1]: https://github.com/zellerlab/GECCO/compare/v0.6.0...v0.6.1
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282 ### Fixed
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283 - Progress bar not being disabled by `-q` flag in CLI.
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284 - Fallback to using HMM name if accession is not available in `PyHMMER`.
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285 - Group genes by source contig and process them separately in `PyHMMER` to avoid bogus E-values.
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286 ### Added
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287 - `psutil` dependency to get the number of physical CPU cores on the host machine.
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288 - Support for using an arbitrary mapping of positives to negatives in `gecco embed`.
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289 ### Removed
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290 - Unused and outdated `HMMER` and `DomainRow` classes from `gecco.hmmer`.
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291
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292 ## [v0.6.0] - 2021-02-28
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293 [v0.6.0]: https://github.com/zellerlab/GECCO/compare/v0.5.5...v0.6.0
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294 ### Changed
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295 - Updated internal model with a cleaned-up version of the MIBiG-2.0
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296 Pfam-33.1/Tigrfam-15.0 embedding.
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297 - Updated internal InterPro catalog.
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298 ### Fixed
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299 - Features not being grouped together in `gecco cv` and `gecco train`
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300 when provided with a feature table where rows were not sorted by
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301 protein IDs.
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302
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303 ## [v0.5.5] - 2021-02-28
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304 [v0.5.5]: https://github.com/zellerlab/GECCO/compare/v0.5.4...v0.5.5
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305 ### Fixed
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althonos
parents:
diff changeset
306 - `gecco cv` bug causing only the last fold to be written.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
307
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
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parents:
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308 ## [v0.5.4] - 2021-02-28
19
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parents: 18
diff changeset
309 [v0.5.4]: https://github.com/zellerlab/GECCO/compare/v0.5.3...v0.5.4
3
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parents:
diff changeset
310 ### Changed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
311 - Replaced `verboselogs`, `coloredlogs` and `better-exceptions` with `rich`.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
312 ### Removed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
313 - `tqdm` training dependency.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
314 ### Added
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
315 - `gecco annotate` command to produce a feature table from a genomic file.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
316 - `gecco embed` to embed BGCs into non-BGC regions using feature tables.
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althonos
parents:
diff changeset
317
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318 ## [v0.5.3] - 2021-02-21
19
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parents: 18
diff changeset
319 [v0.5.3]: https://github.com/zellerlab/GECCO/compare/v0.5.2...v0.5.3
3
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parents:
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320 ### Fixed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
321 - Coordinates of genes in output GenBank files.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
322 - Potential issue with the number of CPUs in `PyHMMER.run`.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
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323 ### Changed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
324 - Bump required `pyrodigal` version to `v0.4.2` to fix buffer overflow.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
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325
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
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326 ## [v0.5.2] - 2021-01-29
19
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althonos
parents: 18
diff changeset
327 [v0.5.2]: https://github.com/zellerlab/GECCO/compare/v0.5.1...v0.5.2
3
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328 ### Added
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
329 - Support for downloading HMM files directly from GitHub releases assets.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
330 - Validation of filtered HMMs with MD5 checksum.
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althonos
parents:
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331 ### Fixed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
332 - Invalid coordinates of protein domains in GenBank output files.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
333 - `gecco.interpro` module not being added to wheel distribution.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
334 ### Changed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
335 - Bump required `pyhmmer` version to `v0.2.1`.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
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336
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
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diff changeset
337 ## [v0.5.1] - 2021-01-15
19
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parents: 18
diff changeset
338 [v0.5.1]: https://github.com/zellerlab/GECCO/compare/v0.5.0...v0.5.1
3
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althonos
parents:
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339 ### Fixed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
340 - `--hmm` flag being ignored in in `gecco run` command.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
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341 - `PyHMMER` using HMM names instead of accessions, causing issues with Pfam HMMs.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
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342
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
343 ## [v0.5.0] - 2021-01-11
19
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parents: 18
diff changeset
344 [v0.5.0]: https://github.com/zellerlab/GECCO/compare/v0.4.5...v0.5.0
3
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parents:
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345 ### Added
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
346 - Explicit support for Python 3.9.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
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347 ### Changed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
348 - [`pyhmmer`](https://pypi.org/project/pyhmmer) is used to annotate protein sequences instead of HMMER3 binary `hmmsearch`.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
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349 - HMM files are stored in binary format to speedup parsing and reduce storage size.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
350 - `tqdm` is now a *training*-only dependency.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
351 - `gecco cv` now requires *training* dependencies.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
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352
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
353 ## [v0.4.5] - 2020-11-23
19
cc91d730cc4f Fix syntax of Galaxy script for GECCO
althonos
parents: 18
diff changeset
354 [v0.4.5]: https://github.com/zellerlab/GECCO/compare/v0.4.4...v0.4.5
3
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
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355 ### Added
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
356 - Additional `fold` column to cross-validation table output.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
357 ### Changed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
358 - Use sequence ID instead of protein ID to extract type from cluster in `gecco cv`.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
359 - Install HMM data in pre-pressed format to make `hmmsearch` runs faster on short sequences.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
360 - `gecco.orf` was rewritten to extract genes from input sequences in parallel.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
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361
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parents:
diff changeset
362 ## [v0.4.4] - 2020-09-30
19
cc91d730cc4f Fix syntax of Galaxy script for GECCO
althonos
parents: 18
diff changeset
363 [v0.4.4]: https://github.com/zellerlab/GECCO/compare/v0.4.3...v0.4.4
3
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
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364 ### Added
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
365 - `gecco cv loto` command to run LOTO cross-validation using BGC types
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
366 for stratification.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
367 - `header` keyword argument to `FeatureTable.dump` and `ClusterTable.dump`
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
368 to write the table without the column header allowing to append to an
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
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diff changeset
369 existing table.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
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370 - `__getitem__` implementation for `FeatureTable` and `ClusterTable`
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
371 that returns a single row or a sub-table from a table.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
372 ### Fixed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
373 - `gecco cv` command now writes results iteratively instead of holding
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
374 the tables for every fold in memory.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
375 ### Changed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
376 - Bumped `pandas` training dependency to `v1.0`.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
377
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
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diff changeset
378 ## [v0.4.3] - 2020-09-07
19
cc91d730cc4f Fix syntax of Galaxy script for GECCO
althonos
parents: 18
diff changeset
379 [v0.4.3]: https://github.com/zellerlab/GECCO/compare/v0.4.2...v0.4.3
3
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althonos
parents:
diff changeset
380 ### Fixed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
381 - GenBank files being written with invalid `/cds` feature type.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
382 ### Changed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
383 - Blocked installation of Biopython `v1.78` or newer as it removes `Bio.Alphabet`
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
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384 and breaks the current code.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
385
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
386 ## [v0.4.2] - 2020-08-07
19
cc91d730cc4f Fix syntax of Galaxy script for GECCO
althonos
parents: 18
diff changeset
387 [v0.4.2]: https://github.com/zellerlab/GECCO/compare/v0.4.1...v0.4.2
3
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althonos
parents:
diff changeset
388 ### Fixed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
389 - `TypeClassifier.predict_types` using inverse type probabilities when
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
390 given several clusters to process.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
391
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
392 ## [v0.4.1] - 2020-08-07
19
cc91d730cc4f Fix syntax of Galaxy script for GECCO
althonos
parents: 18
diff changeset
393 [v0.4.1]: https://github.com/zellerlab/GECCO/compare/v0.4.0...v0.4.1
3
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
394 ### Fixed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
395 - `gecco run` command crashing on input sequences not containing any genes.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
396
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
397 ## [v0.4.0] - 2020-08-06
19
cc91d730cc4f Fix syntax of Galaxy script for GECCO
althonos
parents: 18
diff changeset
398 [v0.4.0]: https://github.com/zellerlab/GECCO/compare/v0.3.0...v0.4.0
3
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
399 ### Added
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
400 - `gecco.model.ProductType` enum to model the biosynthetic class of a BGC.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
401 ### Removed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
402 - `pandas` interaction from internal data model.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
403 - `ClusterCRF` code specific to cross-validation.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
404 ### Changed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
405 - `pandas`, `fisher` and `statsmodels` dependencies are now optional.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
406 - `gecco train` command expects a cluster table in addition to the feature
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
407 table to know the types of the input BGCs.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
408
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
409 ## [v0.3.0] - 2020-08-03
19
cc91d730cc4f Fix syntax of Galaxy script for GECCO
althonos
parents: 18
diff changeset
410 [v0.3.0]: https://github.com/zellerlab/GECCO/compare/v0.2.2...v0.3.0
3
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
411 ### Changed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
412 - Replaced Nearest-Neighbours classifier with Random Forest to perform type
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
413 prediction for candidate BGCs.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
414 - `gecco.knn` module was renamed to implementation-agnostic name `gecco.types`.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
415 ### Fixed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
416 - Extraction of domain composition taking a long time in `gecco train` command.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
417 ### Removed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
418 - `--metric` argument to the `gecco run` CLI command.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
419
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
420 ## [v0.2.2] - 2020-07-31
19
cc91d730cc4f Fix syntax of Galaxy script for GECCO
althonos
parents: 18
diff changeset
421 [v0.2.2]: https://github.com/zellerlab/GECCO/compare/v0.2.1...v0.2.2
3
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
422 ### Changed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
423 - `Domain` and `Gene` can now carry qualifiers that are used when they
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
424 are translated to a sequence feature.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
425 ### Added
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
426 - InterPro names, accessions, and HMMER e-value for each annotated domain
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
427 in GenBank output files.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
428
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
429 ## [v0.2.1] - 2020-07-23
19
cc91d730cc4f Fix syntax of Galaxy script for GECCO
althonos
parents: 18
diff changeset
430 [v0.2.1]: https://github.com/zellerlab/GECCO/compare/v0.2.0...v0.2.1
3
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
431 ### Fixed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
432 - Various potential crashes in `ClusterRefiner` code.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
433 ### Removed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
434 - Uneeded feature dictionary filtering in `ClusterCRF` for models with
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
435 Fisher Exact Test feature selection.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
436
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
437 ## [v0.2.0] - 2020-07-23
19
cc91d730cc4f Fix syntax of Galaxy script for GECCO
althonos
parents: 18
diff changeset
438 [v0.2.0]: https://github.com/zellerlab/GECCO/compare/v0.1.1...v0.2.0
3
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
439 ### Fixed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
440 - `pandas` warning about unsorted columns in `gecco run`.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
441 ### Removed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
442 - `Gene.probability` property, replaced by `Gene.maximum_probability` and
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
443 `Gene.average_probability` properties to be explicit.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
444 ### Changed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
445 - Internal model now uses `Pfam` and `Tigrfam` with the top 35% features
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
446 selected with Fisher's Exact Test.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
447 - `ClusterRefiner` now removes genes on `Cluster` edges if they do not
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
448 contain any domain annotation.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
449
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
450 ## [v0.1.1] - 2020-07-22
19
cc91d730cc4f Fix syntax of Galaxy script for GECCO
althonos
parents: 18
diff changeset
451 [v0.1.1]: https://github.com/zellerlab/GECCO/compare/v0.1.0...v0.1.1
3
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
452 ### Added
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
453 - `ClusterCRF.predict_probabilities` to annotate a list of `Gene`.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
454 ### Changed
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
455 - BGC probability is now stored at the `Domain` level instead of at the `Gene`
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
456 level, independently of the feature extraction level used by the CRF.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
diff changeset
457 - `ClusterKNN` will use the model path provided to `gecco run` if any.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
althonos
parents:
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458 ### Docs
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459 - Added this changelog file to document changes in the code.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
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460 - Added documentation to `gecco` submodules missing some.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
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461 - Included the `CHANGELOG.md` file to the generated docs.
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
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462
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
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463 ## [v0.1.0] - 2020-07-17
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464 [v0.1.0]: https://github.com/zellerlab/GECCO/compare/v0.0.1...v0.1.0
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465 Initial release.
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466
359232b58f6a "Update Galaxy tool wrapper to follow the IUC best practices"
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467 ## [v0.0.1] - 2018-08-13
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468 [v0.0.1]: https://github.com/zellerlab/GECCO/compare/37afb97...v0.0.1
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469 Proof-of-concept.