FredericVAN / PKU_MDAgentView on GitHub
Scientific Reports - 《A Fine-Tuned Large Language Model-Based Molecular Dynamics Agent for Code Generation to Obtain Material Thermodynamic Parameters》, Peking University, March 2025.
42Dec 16, 2025Updated 2 months ago

Alternatives and similar repositories for PKU_MDAgent

Users that are interested in PKU_MDAgent are comparing it to the libraries listed below

Sorting:

Are these results useful?