What's Changed
- issue #193: pd.Series handling missing in FilterReinserter by @JochenSiegWork in #194
- Allow pd.Series input to filter by @JochenSiegWork in #196
- Unpin rdkit by @c-w-feldmann in #197
- add 2D Pharmacophore fingerprints by @JochenSiegWork in #195
- Dataset similarity by @JochenSiegWork in #122
- Conformal Prediction wrappers v3 by @soulios-basf in #199
- 100 extend to chemprop 2.2 by @c-w-feldmann in #200
- Add stubs by @c-w-feldmann in #202
- Add gaussianprocess kernel by @c-w-feldmann in #201
- 203 add mol2mol element which only removes solvents if the mol is a mixture by @c-w-feldmann in #204
Full Changelog: v0.10.3...v0.11.0
Contributors
c-w-feldmann, JochenSiegWork, and soulios-basf