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molecular-mcp

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

Official Registry git

Repository

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

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Install connect locally via stdio

Run in your terminal

claude mcp add molecular-mcp -- uvx scicomp-molecular-mcp

Add to claude_desktop_config.json

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

Add to ~/.cursor/mcp.json

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

Add to ~/.codeium/windsurf/mcp_config.json

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

Add to .vscode/mcp.json

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

Add to cline_mcp_settings.json

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

Packages

pypi scicomp-molecular-mcp@0.1.6

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