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GetRDKFingerprint(mol)
uses default parameters |
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FoldFingerprintToTargetDensity(fp,
**fpArgs) |
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FingerprintMol(mol,
fingerprinter=Chem.RDKFingerprint,
**fpArgs) |
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FingerprintsFromSmiles(dataSource,
idCol,
smiCol,
fingerprinter=Chem.RDKFingerprint,
reportFreq=10,
maxMols=-1,
**fpArgs)
fpArgs are passed as keyword arguments to the fingerprinter |
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FingerprintsFromMols(mols,
fingerprinter=Chem.RDKFingerprint,
reportFreq=10,
maxMols=-1,
**fpArgs)
fpArgs are passed as keyword arguments to the fingerprinter |
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FingerprintsFromPickles(dataSource,
idCol,
pklCol,
fingerprinter=Chem.RDKFingerprint,
reportFreq=10,
maxMols=-1,
**fpArgs)
fpArgs are passed as keyword arguments to the fingerprinter |
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FingerprintsFromDetails(details,
reportFreq=10) |
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ParseArgs(details=None)
parses the command line arguments and returns a
_FingerprinterDetails_ instance with the results. |
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