CACTUS provides AI-powered cheminformatics for autonomous science.

University of Washington Professor David Baker won the 2024 Nobel Prize in Chemistry for computational protein design.

ChemReasoner combines decades of chemistry knowledge with large language models to propose strategies for effective new catalysts.

PNNL computing experts Robert Rallo and Court Corley contribute their knowledge to a recent DOE report on applications of AI to energy, materials, and the power grid.