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

ChatMOF is an artificial intelligence (AI) system that is built to predict and generate metal-organic frameworks (MOFs). By leveraging a large-scale language model (GPT-4, GPT-3.5-turbo, and GPT-3.5-turbo-16k), ChatMOF extracts key details from textual inputs and delivers appropriate responses, thus eliminating the necessity for rigid and formal structured queries. The system is comprised of three core components (i.e., an agent, a toolkit, and an evaluator) and it forms a robust pipeline that manages a variety of tasks, including data retrieval, property prediction, and structure generations. ChatMOF shows high accuracy rates of 96.9% for searching, 95.7% for predicting, and 87.5% for generating tasks with…

• NR
  National Research Foundation
• NR
  National Research Foundation of Korea

  Awards: 2021R1A2C2003583, 2021M3A7C208974513
• NS
  National Supercomputing Center, Korea Institute of Science and Technology Information

  Award: KSC-2022-CRE-0515