1. Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203, China
2. University of Chinese Academy of Sciences, No. 19A Yuquan Road, Beijing 100049, China
3. Nanjing University of Chinese Medicine, 138 Xianlin Road, Nanjing 210023, China
4. Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang 310058, China
5. School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China
6. Lingang Laboratory, Shanghai 200031, China
7. ProtonUnfold Technology Co., Ltd, Suzhou, China
8. Medizinische Klinik und Poliklinik I, Klinikum der Universität München, Ludwig-Maximilians-Universität, Munich, Germany