Diffdock

Name: Diffdock
Rating: 4 (4 reviews)
Author: hxk622

MCP Server

by hxk622 · Added 5mo ago

Claude

Install

git clone https://github.com/hxk622/TokenDance

Add to Claude

claude mcp add diffdock

Quick Setup Config

Copy & paste ready

~/Library/Application Support/Claude/claude_desktop_config.json (macOS) %APPDATA%\Claude\claude_desktop_config.json (Windows)

{
  "mcpServers": {
    "diffdock": {
      "command": "npx",
      "args": [
        "@modelcontextprotocol/diffdock"
      ]
    }
  }
}

Paste into your Claude Desktop config file, then restart Claude.

About

Diffusion-based molecular docking. Predict protein-ligand binding poses from PDB/SMILES, confidence scores, virtual screening, for structure-based drug design. Not for affinity prediction.

Diffdock

Install

Add to Claude

Quick Setup Config

About

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