v1.1.1

Full Changelog: v1.1.0...v1.1.1

v1.1.0

What's Changed

• Migration from tensorflow 2.12.0 to 2.14.0 and some issues fixed in Pipeline Optimization by @jcapels in #108

Full Changelog: v1.0.8...v1.1.0

v1.0.8

What's Changed

• [FIX] categorical_choices to be compatible with optuna-dashboard by @jcorreia11 in #106
• Pipeline voting ensemble by @jcapels in #107

Full Changelog: v1.0.4...v1.0.8

v1.0.4

Minor changes to the package.

Full Changelog: v1.0.3...v1.0.4

v1.0.3

What's Changed

• Fix muti pipeline optimization by @jcorreia11 in #103

Full Changelog: v1.0.2...v1.0.3

v1.0.2

Full Changelog: v1.0.1...v1.0.2

v1.0.1

Full Changelog: v1.0.0...v1.0.1

v1.0.0

What's Changed

• [HOTFIX] logger deepcopy by @jcapels in #67
• Hot fix dependencies - changing the dependencies for their most stable and least vulnerable version by @jcapels in #70
• [ADD] X now is a cached property by @jcapels in #71
• Draw bits - Issue #53 by @jcapels in #72
• Imbalanced learn tracking by @jcorreia11 in #75
• Cross validation splitter by @jcorreia11 in #74
• Shap refactoring by @jcorreia11 in #73
• Add in place by @jcorreia11 in #76
• [FIX] tracking of smiles and mols was not being done by @jcorreia11 in #77
• Load and save models by @jcapels in #78
• Pipeline by @jcorreia11 in #79
• One hot encoding by @jcorreia11 in #82
• [ADD] Comprehensive documentation for read the docs by @jcapels in #84
• [NEW FEATURE] Multitask stratified splitter + [FIX] models prediction arrays by @jcapels in #87
• Pipeline optimization by @jcorreia11 in #86
• Pipeline HPO by @jcapels in #95

Full Changelog: v0.0.6-beta...v1.0.0

Release v0.0.6-beta

What's Changed

• [HOTFIX] dependencies now solved by @jcapels in #29
• 3d descriptors by @jcapels in #30
• [REFACTOR] unnecessary abstract methods removed from class by @jcapels in #31
• [FIX] dependencies for python 3.10 installation by @jcapels in #34
• Deepchem models evaluation by @jcorreia11 in #37
• [FIX] Evaluator, circular imports and deepchem hyperparameter optimization by @jcapels in #39
• [SHORT FIX] correct AUCs in evaluator by @jcapels in #46
• Multiprocessing using joblib by @jcapels in #44
• Test fix datasets by @jcorreia11 in #49
• Test and fix loaders by @jcorreia11 in #48
• Test fix standardizer by @jcorreia11 in #50
• General Refactoring of the DeepChem Featurizers by @jcorreia11 in #51
• [ADD] logger by @jcapels in #52
• [FIX] validate metrics by @jcapels in #54
• Dataset refactoring by @jcorreia11 in #55
• Unsupervised refactoring by @jcorreia11 in #56
• [ADD] documentation by @jcapels in #58
• Multitask by @jcorreia11 in #57
• [HOTFIX] return morgan fingerprint as numpy array by @jcorreia11 in #59
• [HOTFIX] MACCSkeys are 167 not 166 by @jcorreia11 in #60
• [HOTFIX] use elbow method when n_clusters is not provided by @jcorreia11 in #61
• Matrix similarities by @jcorreia11 in #62
• merge into master to perform the release of version 0.0.6-beta by @jcapels in #64

Full Changelog: v0.0.1-beta...v0.0.6-beta

Release v0.0.1-beta

This release relates to the release in https://pypi.org/project/deepmol/0.0.2b0/