arXiv cs.CL
· Papers
Interpretable Inverse Design of Metal-Organic Frameworks with Large Language Model Agents
arXiv:2606.29459v1 Announce Type: cross Abstract: Inverse design of metal-organic frameworks (MOFs) requires searching a combinatorially vast space where property labels are expensive and most machine-learning models reveal little about why a structure succeeds. We introduce LLM4MOF, a closed-loop framework in which la