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ecfp-4

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lhm30 / scikitlearn_clustermap_rdkit_bicluster_molecules

hacked code to bicluster molecules using rdkit and scikitlearn

cheminformatics clustering scikit-learn similarity rdkit molecules smiles scikit ecfp4 biclustering molecular-similarity molecular-fingerprints circular-fingerprints ecfp-4

Updated Jan 18, 2018
Python

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