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molecular-encoding

Here are 2 public repositories matching this topic...

UnixJunkie / molenc

MolEnc: a molecular encoder using rdkit and OCaml.

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

Updated Nov 26, 2024
OCaml

suneelbvs / MolEncoders

Python package for molecular representations and encodings

machine-learning deep-learning generative-model rdkit encoders molecular-encoding

Updated Jul 22, 2024
Python

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