1. Graduate School of Medicinal Life Science, Yokohama City University, Yokohama 230-0045, Japan
2. Modality Laboratories, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida, Aoba-ku, Yokohama 227-0033, Japan
3. HPC- and AI-driven Drug Development Platform Division, Center for Computational Science, RIKEN, Yokohama 230-0045, Japan