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cs.LG2024
AgentDrug: Utilizing Large Language Models in An Agentic Workflow for Zero-Shot Molecular Editing
Khiem Le, Ting Hua, Nitesh V. Chawla
Molecular editing-modifying a given molecule to improve desired properties-is a fundamental task in drug discovery. While LLMs hold the potential to solve this task using natural l…
cs.CV2024★ 1 cited
MolX: Enhancing Large Language Models for Molecular Understanding With A Multi-Modal Extension
Khiem Le, Zhichun Guo, Kaiwen Dong +8
Large Language Models (LLMs) with their strong task-handling capabilities have shown remarkable advancements across a spectrum of fields, moving beyond natural language understandi…