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diffdock

Diffusion-based molecular docking. Predict protein-ligand binding poses from PDB/SMILES, confidence scores, virtual screening, for structure-based drug design. Not for affinity prediction.

Packaged view

This page reorganizes the original catalog entry around fit, installability, and workflow context first. The original raw source lives below.

Stars
141
Hot score
96
Updated
March 20, 2026
Overall rating
A8.1
Composite score
6.4
Best-practice grade
C61.1

Install command

npx @skill-hub/cli install microck-ordinary-claude-skills-diffdock

Repository

Microck/ordinary-claude-skills

Skill path: skills_categorized/scientific-computing/diffdock

Diffusion-based molecular docking. Predict protein-ligand binding poses from PDB/SMILES, confidence scores, virtual screening, for structure-based drug design. Not for affinity prediction.

Open repository

Best for

Primary workflow: Design Product.

Technical facets: Full Stack, Designer.

Target audience: Development teams looking for install-ready agent workflows..

License: Unknown.

Original source

Catalog source: SkillHub Club.

Repository owner: Microck.

This is still a mirrored public skill entry. Review the repository before installing into production workflows.

What it helps with

  • Install diffdock into Claude Code, Codex CLI, Gemini CLI, or OpenCode workflows
  • Review https://github.com/Microck/ordinary-claude-skills before adding diffdock to shared team environments
  • Use diffdock for development workflows

Works across

Claude CodeCodex CLIGemini CLIOpenCode

Favorites: 0.

Sub-skills: 0.

Aggregator: No.

diffdock | SkillHub