MOFReasoner: think like a scientist—a reasoning large language model via knowledge distillation

Digital Discovery 2026 Open access

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Authors: Xuefeng Bai, Zhiling Zheng, Xin Zhang, Hao-Tian Wang, Rui Yang, Jian-Rong Li
DOI: 10.1039/d5dd00429b
Cited by: 2
References: 40

Abstract

MOFReasoner is a domain-specific LLM enhanced by chain-of-thought reasoning and knowledge distillation that, when compared to GPT-4.5, shows superior performance in chemical tasks like MOF adsorption prediction.

Fields of Study & Subjects

Machine Learning in Materials Science Advanced Graph Neural Networks Topic Modeling

Publication details

Journal / source
Digital Discovery
Publisher
Royal Society of Chemistry (RSC)
Volume
5
Issue
2
Pages
869–877
Publication date
1 January 2026
Language
EN