Chemistry

ChatMOF: an artificial intelligence system for predicting and generating metal-organic frameworks using large language models

Y. Kang and J. Kim

Discover the cutting-edge capabilities of ChatMOF, an AI system using advanced large language models to revolutionize the prediction and generation of metal-organic frameworks. This remarkable tool demonstrates the power of AI in materials science, achieving impressive accuracy rates. Research conducted by Yeonghun Kang and Jihan Kim.

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Abstract

ChatMOF is an AI system leveraging large language models (LLMs) like GPT-4, GPT-3.5-turbo, and GPT-3.5-turbo-16k to predict and generate metal-organic frameworks (MOFs). Comprising an agent, toolkit, and evaluator, ChatMOF processes textual inputs, retrieves data, predicts properties, and generates MOF structures. It achieves high accuracy rates (96.9% for searching, 95.7% for predicting, and 87.5% for generating with GPT-4), showcasing the potential of LLMs in materials science.

Publisher

Nature Communications

Published On

Jun 03, 2024

Authors

Yeonghun Kang, Jihan Kim

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