Language models in molecular discovery. - Nikita Janakarajan; Tim Erdmann; Sarath Swaminathan; Teodoro Laino; Jannis Born (CoRR, 2023)

Leveraging Chemistry Foundation Models to Facilitate Structure Focused Retrieval Augmented Generation in Multi-Agent Workflows for Catalyst and Materials Design. - Nathaniel H. Park; Tiffany J. Callahan; James L. Hedrick; Tim Erdmann; Sara Capponi (CoRR, 2024)