rdkit.Chem.AtomPairs package

Submodules

• rdkit.Chem.AtomPairs.Pairs module
  • ExplainPairScore()
  • GetAtomPairFingerprintAsBitVect()
  • pyScorePair()
• rdkit.Chem.AtomPairs.Sheridan module
  • AssignPattyTypes()
  • GetBPFingerprint()
  • GetBTFingerprint()
• rdkit.Chem.AtomPairs.Torsions module
  • ExplainPathScore()
  • GetTopologicalTorsionFingerprintAsIds()
  • pyScorePath()
• rdkit.Chem.AtomPairs.Utils module
  • BitsInCommon()
  • CosineSimilarity()
  • DiceSimilarity()
  • Dot()
  • ExplainAtomCode()
  • NumPiElectrons()

Module contents