rdkit.Chem.Fingerprints package

Submodules

• rdkit.Chem.Fingerprints.ClusterMols module
  • ClusterFromDetails()
  • ClusterPoints()
  • GetDistanceMatrix()
• rdkit.Chem.Fingerprints.DbFpSupplier module
  • DbFpSupplier
    • DbFpSupplier.GetColumnNames()
    • DbFpSupplier.next()
  • ForwardDbFpSupplier
    • ForwardDbFpSupplier.NextItem()
    • ForwardDbFpSupplier.reset()
  • RandomAccessDbFpSupplier
    • RandomAccessDbFpSupplier.NextItem()
    • RandomAccessDbFpSupplier.reset()
• rdkit.Chem.Fingerprints.FingerprintMols module
  • FingerprintMol()
  • FingerprinterDetails
    • FingerprinterDetails.GetMetricName()
    • FingerprinterDetails.SetMetricFromName()
  • FingerprintsFromDetails()
  • FingerprintsFromMols()
  • FingerprintsFromPickles()
  • FingerprintsFromSmiles()
  • FoldFingerprintToTargetDensity()
  • GetRDKFingerprint()
  • ParseArgs()
  • Usage()
  • error()
  • message()
• rdkit.Chem.Fingerprints.MolSimilarity module
  • GetFingerprints()
  • ScreenFingerprints()
  • ScreenFromDetails()
  • ScreenInDb()
• rdkit.Chem.Fingerprints.SimilarityScreener module
  • SimilarityScreener
    • SimilarityScreener.GetSingleFingerprint()
    • SimilarityScreener.Reset()
    • SimilarityScreener.SetProbe()
  • ThresholdScreener
    • ThresholdScreener.Reset()
    • ThresholdScreener.next()
  • TopNScreener
    • TopNScreener.Reset()
    • TopNScreener.next()

Module contents