1. Institute for Drug Discovery, University Leipzig Medicine Faculty, Liebigstr. 19, D-04103 Leipzig, Germany
2. Center for Scalable Data Analytics and Artificial Intelligence ScaDS.AI, D-04105 Leipzig, Germany
3. Department of Chemistry, Vanderbilt University, Nashville, Tennessee 37235, United States
4. Center for Structural Biology, Vanderbilt University, Nashville, Tennessee 37235, United States