Skip to content
mcp/harbor
VS Code

nwchem mcp for VS Code

io.github.mrfentmen/nwchem-mcp

NWChem MCP: parse inputs, validate blocks, geometry and task lines.

client:VS Code transport:stdio runtime:npm

Install nwchem mcp in VS Code

.vscode/mcp.json 

{
  "servers": {
    "nwchem-mcp": {
      "type": "stdio",
      "command": "npx",
      "args": [
        "-y",
        "@mrfentmen/nwchem-mcp"
      ]
    }
  }
}

Requires agent mode. MCP: Open User Configuration puts the same block in every workspace. VS Code docs

nwchem mcp in other clients

nwchem mcp MCP server