rdkit.Chem.MolDb package

Submodules

• rdkit.Chem.MolDb.FingerprintUtils module
  • BuildAtomPairFP()
  • BuildAvalonFP()
  • BuildMorganFP()
  • BuildPharm2DFP()
  • BuildRDKitFP()
  • BuildSigFactory()
  • BuildTorsionsFP()
  • DepickleFP()
  • LayeredOptions
    • LayeredOptions.GetFingerprint()
    • LayeredOptions.GetQueryText()
    • LayeredOptions.GetWords()
    • LayeredOptions.fpSize
    • LayeredOptions.loadLayerFlags
    • LayeredOptions.maxPath
    • LayeredOptions.minPath
    • LayeredOptions.nWords
    • LayeredOptions.searchLayerFlags
    • LayeredOptions.wordSize
• rdkit.Chem.MolDb.Loader module
• rdkit.Chem.MolDb.Loader_orig module
  • ConvertRows()
  • LoadDb()
  • ProcessMol()
• rdkit.Chem.MolDb.Loader_sa module
  • Compound
    • Compound.guid
    • Compound.molpkl
  • ConnectToSchema()
  • LoadDb()
  • ProcessMol()
  • RegisterSchema()

Module contents