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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Repository: InternScience/MolClaw
Last source activity: May 11, 2026 at 07:44
Detected SKILL.md language: English
Stars: 31
Forks: 2

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molclaw-scp-server

All tools utilized within MolClaw skills connect via the MCP protocol. This skill is the unified guide for connecting to the deployed MCP server before invoking tools.

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molclaw-skill-template-writer

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molclaw-admet

Predict the ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of the input molecules.

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name	molclaw-diffdock-auto
description	[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.
license	MIT license
metadata	{"skill-author":"PJLab"}

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)

molclaw-diffdock-auto

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More from this repository

More from this repository

DiffDock Automated Protein-Ligand Docking

DiffDock Automated Protein-Ligand Docking