cmxflow

Overview

cmxflow is an MCP server for composable, tunable cheminformatics workflows. It provides tools for library preparation, clustering, docking, and more, letting AI assistants call cheminformatics operations directly instead of manual copy-pasting between applications.

The server runs locally on your machine via the uvx cmxflow command, speaking MCP over stdio. It requires no authentication and works immediately after installation. The current release is v0.4.0, published under the MIT license, with full source code available at b-shields/cmxflow on GitHub.

cmxflow is listed in the Development category on mcp.site and works with any MCP client including Claude Desktop, Claude Code, Cursor, VS Code, Windsurf, and Zed. If you maintain cmxflow for b-shields, claim this listing to verify your ownership, earn the Verified badge, and keep the information up to date.

Installation

// claude_desktop_config.json
{
  "mcpServers": {
    "cmxflow": {
      "command": "uvx",
      "args": [
        "cmxflow"
      ]
    }
  }
}