https://github.com/lhm30/scikitlearn_clustermap_rdkit_bicluster_molecules

hacked code to bicluster molecules using rdkit and scikitlearn
https://github.com/lhm30/scikitlearn_clustermap_rdkit_bicluster_molecules

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

Last synced: 2 days ago
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hacked code to bicluster molecules using rdkit and scikitlearn

• Host: GitHub
• URL: https://github.com/lhm30/scikitlearn_clustermap_rdkit_bicluster_molecules
• Owner: lhm30
• Created: 2018-01-18T13:48:38.000Z (about 7 years ago)
• Default Branch: master
• Last Pushed: 2018-01-18T14:24:30.000Z (about 7 years ago)
• Last Synced: 2024-11-21T07:10:22.639Z (2 months ago)
• Topics: biclustering, cheminformatics, circular-fingerprints, clustering, ecfp-4, ecfp4, molecular-fingerprints, molecular-similarity, molecules, rdkit, scikit, scikit-learn, similarity, smiles
• Language: Python
• Size: 1.95 KB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0

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