Kartograf

Latest version: v1.0.1

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1.0.1

Minor release containing improved documentation and updates for gufe abc updates.

What's Changed
* Docs by RiesBen in https://github.com/OpenFreeEnergy/kartograf/pull/27
* Update index.rst by RiesBen in https://github.com/OpenFreeEnergy/kartograf/pull/28
* Update Install Instructions + May Other Fixes by mikemhenry in https://github.com/OpenFreeEnergy/kartograf/pull/29
* include date in cache key by mikemhenry in https://github.com/OpenFreeEnergy/kartograf/pull/31
* Add deps to colab notebook by mikemhenry in https://github.com/OpenFreeEnergy/kartograf/pull/32
* Make Mapper tokenizable by richardjgowers in https://github.com/OpenFreeEnergy/kartograf/pull/33


**Full Changelog**: https://github.com/OpenFreeEnergy/kartograf/compare/1.0.0...v1.0.1

1.0.0

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! 😁

0.5.2

- minor refactor
- adding new optional visualization

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