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PKU_MDAgent

Scientific Reports - 《A Fine-Tuned Large Language Model-Based Molecular Dynamics Agent for Code Generation to Obtain Material Thermodynamic Parameters》, Peking University, March 2025.

How to download and setup PKU_MDAgent

Open terminal and run command
git clone https://github.com/FredericVAN/PKU_MDAgent.git
git clone is used to create a copy or clone of PKU_MDAgent repositories. You pass git clone a repository URL.
it supports a few different network protocols and corresponding URL formats.

Also you may download zip file with PKU_MDAgent https://github.com/FredericVAN/PKU_MDAgent/archive/master.zip

Or simply clone PKU_MDAgent with SSH
[email protected]:FredericVAN/PKU_MDAgent.git

If you have some problems with PKU_MDAgent

You may open issue on PKU_MDAgent support forum (system) here: https://github.com/FredericVAN/PKU_MDAgent/issues