From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials. - Frédéric Célerse; Matthew D. Wodrich; Sergi Vela; Simone Gallarati; Raimon Fabregat; Veronika Jurásková; Clémence Corminboeuf (J. Chem. Inf. Model., 2024)