rdkit.Chem.AtomPairs

Package rdkit :: Package Chem :: Package AtomPairs |
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# Package AtomPairs

source code

Submodules | [hide private]
rdkit.Chem.AtomPairs.Pairs: Contains an implementation of Atom-pair fingerprints, as described in: rdkit.Chem.AtomPairs.Sheridan: Contains an implementation of Physicochemical property fingerprints, as described in: Kearsley, S. rdkit.Chem.AtomPairs.Torsions: Contains an implementation of Topological-torsion fingerprints, as described in: rdkit.Chem.AtomPairs.Utils

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