136 citations · 180 across the 10 of their papers we have counts for
Showing physics.chem-phShow all
2 papers · 1 filter
physics.chem-ph2023★ 2 cited
Holistic chemical evaluation reveals pitfalls in reaction prediction models
Victor Sabanza Gil, Andres M. Bran, Malte Franke +3
The prediction of chemical reactions has gained significant interest within the machine learning community in recent years, owing to its complexity and crucial applications in chem…
physics.chem-ph2023★ 136 cited
ChemCrow: Augmenting large-language models with chemistry tools
Andres M Bran, Sam Cox, Oliver Schilter +3
Over the last decades, excellent computational chemistry tools have been developed. Integrating them into a single platform with enhanced accessibility could help reaching their fu…