/tools/druggpt

druggpt

LIYUESEN/druggpt

GitHub
protein-designgenerationtooldrug-discovery
122 stars17 forksPythonAdded February 4, 2026
summary

DrugGPT is a tool that employs a GPT-based strategy to design potential ligands for specific proteins. It utilizes deep learning to explore chemical space and optimize ligand design, enhancing the drug development process.

description

DrugGPT: A GPT-based Strategy for Designing Potential Ligands Targeting Specific Proteins

topics

drug-designdrug-discoverygpthuggingfacelarge-language-models

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