GitHub - lhm30/scikitlearn_clustermap_rdkit_bicluster_molecules: hacked code to bicluster molecules using rdkit and scikitlearn · GitHub

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bicluster_smiles.py		bicluster_smiles.py

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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

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