Transformers, new features, transfer learning#424

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stewarthe6 wants to merge 44 commits into1.8.0from

feat_scaled_rdkit_mordred

Commits on Jan 21, 2025

Commits on Jan 23, 2025

set default for PowerTransformer method
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Commits on Mar 20, 2025

Commits on Mar 26, 2025

rdkit_scaled by heavy atom count is working
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Commits on Mar 31, 2025

Added json needed for the delaney_panel test.
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default_true and default_false were being overwritten. Now calls set_default function for all sklearn parameters
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Merge branch 'feature_sklearn_transformer' into feat_scaled_rdkit_mordred
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Commits on Apr 2, 2025

Refactor so we wrap sklearn Pipelines instead of transformers to make it more generalizeable. Fixed tests. Fixed bug where the imputer_strategy parameter was not used
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Commits on Apr 3, 2025

Commits on Apr 17, 2025

Updated input sanity check for SklearnPipeLineWrapper. Removed 'add_indicator' flag because that changed the number of features and crashed.
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Commits on Apr 21, 2025

Updated transformer test to expect NotImpelmentedError when untransforming using SklearnPipelineWrapper
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Commits on May 13, 2025

Merge branch '1.7.0' into feature_sklearn_transformer
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Commits on May 14, 2025

Merge branch 'feature_sklearn_transformer' into feat_scaled_rdkit_mordred
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Commits on Jun 19, 2025

Commits on Feb 17, 2026

added utility functions to filter compounds out based on features as well as infill nan or extremely large values
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Commits on Feb 25, 2026

Merge branch '1.8.0' into feat_scaled_rdkit_mordred
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Commits on Mar 5, 2026

Commits on Mar 9, 2026

Additional tests for:
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Commits on Mar 10, 2026