/tools/PocketGen

PocketGen

zaixizhang/PocketGen

208 stars26 forksPythonWebsiteAdded February 4, 2026
summary

PocketGen is a tool that generates full-atom ligand-binding protein pockets using generative models. It benchmarks its performance against established datasets like CrossDocked and Binding MOAD, providing processed datasets for training and evaluation of pocket generation methods.

description

PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets

topics

generativegeometric-deep-learningprotein-language-modelprotein-ligand-interactionsprotein-structure

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