The 2024 Nobel Prize in Chemistry was recently granted to David Baker, Demis Hassabis and John M. Jumper, renowned for their pioneering works in ...
Graph Neural Networks (GNN), a cutting-edge approach in artificial intelligence, can significantly improve computational calculations in heterogeneous catalysis. Researchers have made a groundbreaking ...
Background: Molecular interactions are central to numerous challenges in chemistry and the life sciences. Whether in solute–solvent dissolution, adverse drug–drug interactions, or protein complex ...