LIYUESEN/druggpt

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

42
/ 100
Emerging

This tool helps drug researchers and medicinal chemists rapidly discover new drug candidate molecules. You input a protein's amino acid sequence, and it generates a list of potential ligands (molecules) that are predicted to bind with that specific protein. It's designed for scientists working on drug discovery and development.

122 stars. No commits in the last 6 months.

Use this if you need to efficiently explore chemical space to find novel molecules that could interact with a target protein.

Not ideal if you require a user-friendly graphical interface for molecular design, as this tool is command-line driven.

drug-discovery medicinal-chemistry ligand-design molecular-design pharmaceutical-research
Stale 6m No Package No Dependents
Maintenance 0 / 25
Adoption 10 / 25
Maturity 16 / 25
Community 16 / 25

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Stars

122

Forks

17

Language

Python

License

GPL-3.0

Last pushed

Feb 18, 2025

Commits (30d)

0

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