1. Lab of Computational Chemistry and Drug Design, State Key Laboratory of Chemical Oncogeomics, Peking University Shenzhen Graduate School, Shenzhen 518055, China
2. XtalPi Inc., Shenzhen Jingtai Technology Co., Limited, Floor 4, No. 9, Hualian Industrial Zone, Dalang Street, Longhua District, Shenzhen 518100, China
3. XtalPi Inc., 245 Main Street, Cambridge, Massachusetts 02142, United States
4. Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States
5. Early Product Development and Manufacturing, Pharmaceutical Sciences, R&D, AstraZeneca Gothenburg, Pepparedsleden 1, Mölndal SE-431 83, Sweden
6. Data Science and Modelling, Pharmaceutical Sciences, R&D, AstraZeneca Gothenburg, Pepparedsleden 1, Mölndal SE-431 83, Sweden