AgentUni
Other & General

molecular-mcp

by @andylbrummer / v0.1.6

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

Install

PyPI / stdio

uvx scicomp-molecular-mcp

Client config (Claude Desktop, Cursor, Windsurf and most MCP clients)

{
  "mcpServers": {
    "io-github-andylbrummer-molecular-mcp": {
      "command": "uvx",
      "args": [
        "scicomp-molecular-mcp"
      ]
    }
  }
}

Source: official MCP Registry record · registry name io.github.andylbrummer/molecular-mcp · published 2026-01-05 · updated 2026-01-05. Not an endorsement; review the code before connecting it to anything sensitive.

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