Features:
- Mapping Geometry Based Atom Mapper
- Fitlers for applying rules what not to map (ring breaks or ring size changes, element changes, no hydrogens, etc.)
- SmallCompound alignment tools - MCS or shape based
- Mapping Scoring Metrics (and an experimental Scorer - don't use for real business)
- visualization widget for multiple mappings in jupyter notebooks
Looking forward to get your Feedback! 😁