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Top 1 signature-molecular-descriptor open source projects

MolEnc: a molecular encoder using rdkit and OCaml.

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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 signature-molecular-descriptor projects