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molecular mcp for Grok

io.github.andylbrummer/molecular-mcp

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

client:Grok transport:stdio runtime:pypi

Install molecular mcp in Grok

.mcp.json (in your project root)

{
  "mcpServers": {
    "molecular-mcp": {
      "type": "stdio",
      "command": "uvx",
      "args": [
        "scicomp-molecular-mcp"
      ]
    }
  }
}

Grok Build reads Claude Code's .mcp.json and Claude Desktop's config unchanged, so a server you have already set up there needs nothing new. The Grok web app and X integration do not take custom servers. Grok docs

molecular mcp in other clients