ecfp4

There are 0 repository under ecfp4 topic.

UnixJunkie / consent
ligand-based virtual screening with consensus queries
chemoinformatics ligand lbvs consensus chemical fingerprint maccs ecfp4 ocaml molprint2d
Language:OCaml 8
UnixJunkie / mol2ecfp4
convert molecules to their ECFP4 fingerprint using rdkit
ecfp4 mol2 sdf rdkit python-script
Language:Python 8
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
Language:Python 0