DOE OSTI · code-127871
CACTUS
Abstract
CACTUS is an innovative LLM‐based agent that combines the cognitive capabilities of large language models with domain‐specific tools. By integrating cheminformatics tools, CACTUS assists researchers in tasks such as molecular property prediction, similarity searching, and drug‐likeness assessment.
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Kumar, Neeraj, McNaughton, Andrew, Knutson, Carter, Varikoti, Rohith, Kruel, Agustin. 2024-06-03. CACTUS. https://doi.org/10.11578/dc.20240603.2
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