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LLM4MOF: Multi-Agent Framework for Inverse Design of Metal-Organic Frameworks

Researchers propose LLM4MOF, a closed-loop multi-agent system that turns natural-language design requests into candidate metal-organic frameworks and evaluates them iteratively. The approach aims to make inverse design of these porous crystalline materials more interpretable, addressing combinatorial search spaces and costly property labels. The work appears as a replacement submission on arXiv in the cs.AI and cs.LG categories.

arXivLLM4MOFMetal-Organic Frameworksinverse-designlarge-language-modelsmulti-agent-systems

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