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Molecular Mcp

io.github.andylbrummer/molecular-mcp · v0.1.6

GPU-accelerated MCP server for molecular dynamics, N-body simulations, and particle systems

Connect Runs on your machine

Terminal
claude mcp add molecular-mcp -- uvx scicomp-molecular-mcp==0.1.6
claude_desktop_config.json
{
  "mcpServers": {
    "molecular-mcp": {
      "command": "uvx",
      "args": [
        "scicomp-molecular-mcp==0.1.6"
      ]
    }
  }
}
~/.cursor/mcp.json
{
  "mcpServers": {
    "molecular-mcp": {
      "command": "uvx",
      "args": [
        "scicomp-molecular-mcp==0.1.6"
      ]
    }
  }
}
.vscode/mcp.json
{
  "servers": {
    "molecular-mcp": {
      "type": "stdio",
      "command": "uvx",
      "args": [
        "scicomp-molecular-mcp==0.1.6"
      ]
    }
  }
}

Tools

This server runs locally, so its tools are listed by your MCP client once it starts.

Details

Package[email protected] (PYPI, stdio)
First published5 Jan 2026
Last updated5 Jan 2026
Registry nameio.github.andylbrummer/molecular-mcp

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