cmxflow for VS Code

io.github.b-shields/cmxflow

Composable, tunable cheminformatics workflows: library preparation, clustering, docking, and more.

client:VS Code transport:stdio runtime:pypi

Install cmxflow in VS Code

.vscode/mcp.json

{
  "servers": {
    "cmxflow": {
      "type": "stdio",
      "command": "uvx",
      "args": [
        "cmxflow"
      ]
    }
  }
}

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