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20242026
most citedEGMOF: Efficient Generation of Metal-Organic Frameworks Using a Hybrid Diffusion-Transformer Architecture

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cs.LG2026

Interpretable Inverse Design of Metal-Organic Frameworks with Large Language Model Agents

Kyungmin Nam, Seunghee Han, Jihan Kim

Inverse design of metal-organic frameworks (MOFs) requires navigating combinatorial spaces with costly property labels and opaque machine-learning models. We introduce LLM4MOF, a c…