/tools/DrugGEN

DrugGEN

HUBioDataLab/DrugGEN

92 stars21 forksPythonAdded February 4, 2026
summary

DrugGEN is a generative system designed for the de novo creation of drug candidate molecules that are tailored to interact with specific protein targets. It utilizes graph transformer-based generative adversarial networks to generate and evaluate potential drug candidates.

description

Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Adversarial Networks

topics

deep-learningdenovo-designdrug-discoverydrug-target-interactionsgenerative-adversarial-networkgenerative-modelsgraph-neural-networksmachine-learningpytorchtransformer

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