All Git Users → UnixJunkie

2 open source projects by UnixJunkie

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Chemoinformatics tool for ligand-based virtual screening

✭ 16

ocaml python shell Makefile chemoinformatics ligand lbvs partial-charges

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

1-2 of 2 user projects