Diandian Guo

MOF-Sleuth: Tool-Grounded Reward Alignment for Explainable Fine-Grained MOF CIF Auditing

Yu Liu, Zhiwei Yang, Diandian Guo, Kun Peng, Fangfang Yuan, Cong Cao, et al.

Large metal-organic framework (MOF) databases support simulation, screening, and machine learning through crystallographic information files (CIFs). Subtle chemical and structural errors in these inputs can compromise downstream results and hinder manual inspection. LLM advances…Read more