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.

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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)

internscience/molclaw/tree/main/skills/L1_tools/molclaw-diffdock-auto commit 122eb1ab78

Frequently asked questions

npx skillmds@latest add internscience/molclaw-diffdock-auto