Data

Tools

Indexes

Applications

Experiments

Repos

An open API service providing repository metadata for many open source software ecosystems.

GitHub topics: signature-molecular-descriptor

UnixJunkie/molenc

MolEnc: a molecular encoder using rdkit and OCaml.

Language: OCaml - Size: 9.04 MB - Last synced at: 12 days ago - Pushed at: 23 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