  ChatMOF is an autonomous Artificial Intelligence (AI) system that is built to
predict and generate metal-organic frameworks (MOFs). By leveraging a
large-scale language model (GPT-4 and GPT-3.5-turbo), ChatMOF extracts key
details from textual inputs and delivers appropriate responses, thus
eliminating the necessity for rigid 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. The study further
explores the merits and constraints of using large language models (LLMs) AI
system in material sciences using and showcases its transformative potential
for future advancements.
