lhm30's repositories
PubChem_Actives_Inactives
Download confirmed inactive compounds for a given Uniprot/EGID Query
RDKit_NN_Analysis_ECFP_Gobbi_FPs
Parallel K-NN intra- inter- similarity analysis for EFCP/GOBBI compound fingerprints
scikitlearn_clustermap_rdkit_bicluster_molecules
hacked code to bicluster molecules using rdkit and scikitlearn