All Categories → No Category → qsar

Top 2 qsar 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

Calculate Sterimol Parameters from Sructure Input/Output Files

✭ 17

python gaussian organic-chemistry conformational-analysis qsar cpk cone-angles sterimol sterics sterimol-parameters sandwich-complexes

1-2 of 2 qsar projects