molecular-encoding

There are 0 repository under molecular-encoding topic.

UnixJunkie / molenc
MolEnc: a molecular encoder using rdkit and OCaml.
atom-pairs chemical-fingerprint chemoinformatics counted-unfolded-fingerprint lbvs molecular-encoding ocaml-program pharmacophore-points python-script qsar rdkit signature-molecular-descriptor
Language:OCaml 18