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 months 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 (over 7 years ago)
- Default Branch: master
- Last Pushed: 2018-01-18T14:24:30.000Z (over 7 years ago)
- Last Synced: 2025-01-22T01:15:02.873Z (4 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