SeonghwanSeo/OpenPharmaco
Open-source protein-based pharmacophore modeling software
This software helps drug discovery researchers automatically identify the key chemical features (pharmacophores) on a target protein. You input a protein structure, and it generates a pharmacophore model that can then be used to screen massive libraries of potential drug molecules to find promising candidates. Medicinal chemists and computational biologists focused on lead discovery and optimization would use this.
No commits in the last 6 months.
Use this if you need to quickly and automatically generate protein-based pharmacophore models for high-throughput virtual screening in drug discovery.
Not ideal if you are a deep learning researcher looking for a more advanced development toolkit, as you should visit the PharmacoNet GitHub.
Stars
37
Forks
3
Language
Python
License
MIT
Category
Last pushed
Feb 15, 2025
Commits (30d)
0
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