# Molclaw Diffdock Auto

> [CURRENTLY UNAVAILABLE] DiffDock protein-ligand docking. This tool is not deployed on the current MCP server. Use molclaw-quickvina-docking or molclaw-karmadock-tool as alternatives.

- Skill: `internscience/molclaw-diffdock-auto` (Agent Skill)
- Install (CLI): `npx skillmds@latest add internscience/molclaw-diffdock-auto`
- Raw SKILL.md: https://api.skillmd.com/api/skills/internscience/molclaw-diffdock-auto/raw
- Safety review: pending
- Works with: Claude Code, Claude.ai, OpenAI Codex
- Category: AI & ML, Coding & Dev Tools
- License: MIT license
- Author: internscience (https://skillmd.com/u/internscience)
- Updated: 2026-09-17
- Page: https://skillmd.com/skills/internscience/molclaw-diffdock-auto

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# DiffDock Automated Protein-Ligand Docking

Note: 
- Local files are not directly accessible by the server. Please upload them to the server using `molclaw-file-transfer` before execution. 
- For PDB file inputs, it is recommended to preprocess them using `molclaw-pdbfixer` before execution.
- Please refer to skill `molclaw-scp-server` to complete tool invocation.

> **⚠ TOOL NOT AVAILABLE:** The `diffdock_auto` tool is **not currently deployed** on the MCP server. The DiffDock API endpoint is disabled. **Do NOT attempt to call `diffdock_auto`.** Use one of these alternatives instead:
> - **`molecule_docking_quickvina_fullprocess`** — GPU-accelerated AutoDock Vina variant (see skill `molclaw-quickvina-docking`)
> - **`karmadock_tool`** — ML-based docking (see skill `molclaw-karmadock-tool`)