rdkit.ML.Cluster.Clustering module — The RDKit 2025.09.6 documentation

# rdkit.ML.Cluster.Clustering module

rdkit.ML.Cluster.Clustering.MurtaghCluster((rdkit.Chem.rdMolDescriptors.AtomPairsParameters)data, (int)nPts, (int)sz, (int)option) → object :

  TODO: provide docstring

  C++ signature :

    _object* MurtaghCluster(boost::python::api::object,int,int,int)

rdkit.ML.Cluster.Clustering.MurtaghDistCluster((rdkit.Chem.rdMolDescriptors.AtomPairsParameters)data, (int)nPts, (int)option) → object :

  TODO: provide docstring

  C++ signature :

    _object* MurtaghDistCluster(boost::python::api::object,int,int)