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PubChem_Actives_Inactives
PubChem_Actives_Inactives PublicDownload confirmed inactive compounds for a given Uniprot/EGID Query
Python 3
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RDKit_NN_Analysis_ECFP_Gobbi_FPs
RDKit_NN_Analysis_ECFP_Gobbi_FPs PublicParallel K-NN intra- inter- similarity analysis for EFCP/GOBBI compound fingerprints
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scikitlearn_clustermap_rdkit_bicluster_molecules
scikitlearn_clustermap_rdkit_bicluster_molecules Publichacked code to bicluster molecules using rdkit and scikitlearn
Python
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