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2024
Leveraging Chemistry Foundation Models to Facilitate Structure Focused Retrieval Augmented Generation in Multi-Agent Workflows for Catalyst and Materials Design.
[DOI]
Nathaniel H. Park
,
Tiffany J. Callahan
,
James L. Hedrick
,
Tim Erdmann
,
Sara Capponi
CoRR, 2024
2023
Language models in molecular discovery.
[DOI]
Nikita Janakarajan
,
Tim Erdmann
,
Sarath Swaminathan
,
Teodoro Laino
,
Jannis Born
CoRR, 2023