plumed2-mcp-server
starsforks
How to install plumed2-mcp-server?
phelanshao/plumed2-mcp-server
$git clone https://github.com/PhelanShao/plumed2-mcp-serverPLUMED2 Smart Input Generator - An MCP-based assistant for molecular dynamics enhanced sampling configurations that automatically generates optimized PLUMED input files, supporting metadynamics, umbrella sampling, and other enhanced sampling methods with built-in syntax validation and performance optimization.
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