DiffDock Automated Protein-Ligand Docking
SkillCloud & infra[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.
Available today. Use it from your connected AI after setup.
No other account needed.
Connect ahel once, and every AI you use reads what you have installed.
Then ask your AI: use the DiffDock Automated Protein-Ligand Docking skill
What this skill tells your AI
The instructions your AI receives, as published by internscience/molclaw in skills/L1_tools/molclaw-diffdock-auto/SKILL.md and read by ahel’s review.
Note:
- Local files are not directly accessible by the server. Please upload them to the server using
molclaw-file-transferbefore execution. - For PDB file inputs, it is recommended to preprocess them using
molclaw-pdbfixerbefore execution. - Please refer to skill
molclaw-scp-serverto complete tool invocation.
⚠ TOOL NOT AVAILABLE: The
diffdock_autotool is not currently deployed on the MCP server. The DiffDock API endpoint is disabled. Do NOT attempt to calldiffdock_auto. Use one of these alternatives instead:
molecule_docking_quickvina_fullprocess— GPU-accelerated AutoDock Vina variant (see skillmolclaw-quickvina-docking)karmadock_tool— ML-based docking (see skillmolclaw-karmadock-tool)
Signals
- GitHub stars
- 33
- Forks
- 3
- Last commit
- Aug 2026
Advanced
- Catalog kind
- skill
- Gateway key
molclaw-diffdock-auto- Source
- github.com/internscience/molclaw