Huang Lab
About DrugBaiter
DrugBaiter is a physics-based interpretable positive-unlabeled learning scoring framework for general prediction of drug-protein interactions in structure-based drug screening on targets with few known binders.
Copyright © 2023 Keqiong Zhang, Qilong Wu, Sheng-You Huang and Huazhong University of Science and Technology. Released under GNU General Public License Version 3
Download DrugBaiter
DrugBaiter is freely available for academic and non-commercial users.
[Click to Download DrugBaiter v1.0]
If you have any questions regarding DrugBaiter, please don't hesitate to contact us at huangsy@hust.edu.cn
Reference
[1] Keqiong Zhang, Zhiran Fan, Qilong Wu, Jianfeng Liu, and Sheng-You Huang,
Structure-based discovery of novel drugs through few-shot positive-unlabeled learning.
2023, submitted.
© Lab of Biophysics and Molecular Modeling, huanglab@hust.edu.cn