Run any Skill in Manus with one click

molclaw-diffdock-auto

Stars27

Forks2

UpdatedMay 11, 2026 at 07:44

[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.

Installation

Install with Codex or Claude Copy this prompt, paste it into Codex, Claude, or another assistant, and let it review the skill page and install it for you.

Run Skill in Manus

Source

InternScience

InternScience/MolClaw

View GitHub Repository View Creator Repositories

Download

Run Skill in Manus

Related occupationsSOC

Based on SOC occupation classification

Biochemists and BiophysicistsLife, Physical, and Social Science Occupations·SOC 19-1021

SKILL.md

readonly

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)

More from this repository

same repository

molclaw-admet

InternScience/MolClaw

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

2026-05-1127

molclaw-boltz2-affinity

InternScience/MolClaw

Predict binding affinity between target protein sequence and small molecule SMILES using Boltz-2.

2026-05-1127

molclaw-chai1-predict

InternScience/MolClaw

Predict protein structures with Chai-1 from sequence or FASTA input and return model scoring summaries.

2026-05-1127

molclaw-chroma-toolkit

InternScience/MolClaw

Chroma toolkit skill covering chroma_monomer for single-chain generation, chroma_complex for multi-chain assembly generation, and chroma_symmetry for symmetry-constrained protein design.

2026-05-1127

molclaw-compound-retrieve

InternScience/MolClaw

Retrieve SMILES strings from PubChem database using compound names.

2026-05-1127

molclaw-denovo-sampling

InternScience/MolClaw

Generate new molecules de novo.

2026-05-1127

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)