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kallisto docs
  • Featurizer and Modelling Helper
  • Setup and Installation
  • Testing suite
  • Check the Examples
  • Features
    • Coordination Numbers
    • Proximity Shells
    • Partial Charges
    • Polarizabilities
    • van-der-Waals Radii
    • Sterimol
  • Modelling
    • Breadth First Sorting
    • Root Mean Square Deviation
    • Substructure Finder
    • Substructure Exchanger
  • Misc
    • Need Help
    • License
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