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Welcome to the OpenPharmaco wiki!
OpenPharmaco is an Open-source GUI software of PharmacoNet for fully automated protein-based pharmacophore modeling and ultra-fast virtual screening.
If you are a deep learning developer, please visit PharmacoNet.
Development and Maintenance: Seonghwan Seo (Laboratory of Prof. Woo Yeon Kim, Department of Chemistry, KAIST)
* Tested on Microsoft Window and Mac OS X (Apple Silicon).
Paper: https://doi.org/10.1039/D4SC04854G
If you use OpenPharmaco in your work, please cite:
Seo, Seonghwan, and Woo Youn Kim. "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening." Chemical Science (2024).
OpenPharmaco was developed utilizing PyTorch, NumPy, Biopython, Open Babel, Open-Source PyMOL [github], PyQt5
Published under a MIT license, see LICENSE