What's Changed
- explainability: We added a new module for XAI to explain whole pipelines using SHAP. See the notebook for an introduction https://github.com/basf/MolPipeline/blob/main/notebooks/advanced_03_introduction_to_explainable_ai.ipynb
- 115 add new rdkit physchem descriptors to unittests by @c-w-feldmann in #116
- Some further maintenance work, like updating dependencies etc.
Full Changelog: v0.9.1...v0.9.2
Contributors
c-w-feldmann