lhm30 / scikitlearn_clustermap_rdkit_bicluster_molecules

hacked code to bicluster molecules using rdkit and scikitlearn

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

This repository is not active

About

hacked code to bicluster molecules using rdkit and scikitlearn

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

Languages

Language:Python 100.0%