1. Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences and Cancer Center, Zhejiang University, Hangzhou 310058, Zhejiang, P. R. China
2. Tencent, Tencent Quantum Lab, Shenzhen 518057, Guangdong, P. R. China
3. Dr. Neher’s Biophysics Laboratory for Innovative Drug Discovery Macau Institute for Applied Research in Medicine and Health State Key Laboratory of Quality Research in Chinese Medicine, Macau University of Science and Technology, Taipa 999078, Macau, P. R. China
4. Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000, P. R. China
5. Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science & Technology, Shanghai 200237, P. R. China
6. Xiangya School of Pharmaceutical Sciences, Central South University, Changsha 410013, Hunan, P. R. China