From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials.
Frédéric CélerseMatthew D. WodrichSergi VelaSimone GallaratiRaimon FabregatVeronika JuráskováClémence CorminboeufPublished in: J. Chem. Inf. Model. (2024)