Scientific Reports - 《A Fine-Tuned Large Language Model-Based Molecular Dynamics Agent for Code Generation to Obtain Material Thermodynamic Parameters》, Peking University, March 2025.
What is the FredericVAN/PKU_MDAgent GitHub project? Description: " Scientific Reports - 《A Fine-Tuned Large Language Model-Based Molecular Dynamics Agent for Code Generation to Obtain Material Thermodynamic Parameters》, Peking University, March 2025.". Written in Jupyter Notebook. Explain what it does, its main use cases, key features, and who would benefit from using it.
Question is copied to clipboard — paste it after the AI opens.
Clone via HTTPS
Clone via SSH
Download ZIP
Download master.zipReport bugs or request features on the PKU_MDAgent issue tracker:
Open GitHub Issues