utils/mol2concatinated_vector: changes for xai #33
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tests fail because of a bug in the current RDKit pypi version. However, the bug is fixed in the newest RDKit version and we are waiting for the version bump pypi. See kuelumbus/rdkit-pypi#100 for details. |
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- Add helper class SubpipelineExtractor to get certain
parts of an existing Pipeline.
- Add property to mol2concatinated_vector to extract
total number of features.
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This PR provides some new utils functionality for automatically extracting specific subpipelines from a given Pipeline and added additional functions to mol2concatinated_vector