All Categories → No Category → atom-pairs

Top 1 atom-pairs open source projects

MolEnc: a molecular encoder using rdkit and OCaml.

✭ 14

ocaml python shell python-script rdkit chemoinformatics qsar lbvs ocaml-program chemical-fingerprint signature-molecular-descriptor molecular-encoding atom-pairs pharmacophore-points counted-unfolded-fingerprint

1-1 of 1 atom-pairs projects