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GitHub topics: atom-pairs

UnixJunkie/molenc

MolEnc: a molecular encoder using rdkit and OCaml.

Language: OCaml - Size: 9.04 MB - Last synced at: 10 days ago - Pushed at: 21 days ago - Stars: 19 - Forks: 2

Related Keywords
atom-pairs 1 chemical-fingerprint 1 chemoinformatics 1 counted-unfolded-fingerprint 1 lbvs 1 molecular-encoding 1 ocaml-program 1 pharmacophore-points 1 python-script 1 qsar 1 rdkit 1 signature-molecular-descriptor 1