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Kartograf v1.0.0
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@RiesBen RiesBen released this 14 Nov 16:58
· 123 commits to main since this release
1.0.0
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Learn about vigilant mode.

🥳 Kartograf is now at v1.0.0 🥳
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! 😁

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