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binding-site

Here are 4 public repositories matching this topic...

tsudalab / ACP4

AutoCorrelation of Pharmacophore Features

autocorrelation ligand virtual-screening pharmacophore ocaml-program binding-site ligand-binding-site

Updated Mar 6, 2023
OCaml

shiwentao00 / Graphsite

Generate graph representations of protein binding sites.

bioinformatics deep-learning graph cheminformatics pocket protein graph-neural-network binding-site

Updated Dec 8, 2021
Python

UnixJunkie / ACP4

AutoCorrelation of Pharmacophore Features

autocorrelation ligand virtual-screening pharmacophore ocaml-program binding-site

Updated Feb 25, 2025
OCaml

marcarreaza / pocketseeker

A ligand binding site predictor for proteins

structural-biology prediction-model binding-site

Updated Apr 22, 2025
Python

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