diffdock
Diffusion-based docking that predicts protein-ligand poses without a predefined site. Use for blind docking, when traditional docking fails, or exploring multiple binding modes. Pipeline: prep protein (PDB) and ligand (SMILES/SDF), run inference, analyze confidence-ranked poses.
Install / Use
npx skills add jaechang-hits/SciAgent-Skills --skill diffdockInstalls into whichever agent you are using.
SKILL.md
Installable skill definition
Quality Score
Category
AutomationSupported Platforms
Tags
Our assessment of diffdock
diffdock scores 83/100 on our quality scale, 2231st of 2,867 Automation skills we index.
We have not analysed the SKILL.md file itself yet, so the content part of this score is an estimate until our crawler reaches it.
It has 367 GitHub stars, a meaningful sign that others use it.
Maintenance, license and trust
- The repository was last updated 37 days ago, so diffdock is actively maintained.
- No license is declared. By default that means all rights are reserved: you can read it, but reusing or redistributing it is not clearly permitted. Ask the author before building on it commercially.
- Its trust signals score 88/100, with 1 caution from licensing, adoption, age or documentation. These come from repository metadata, not a code audit — read the skill file before letting an agent act on it.
diffdock compared with similar skills
All 4 of these similar skills score higher than diffdock; compare them before choosing.
| Skill | Score | Stars | Updated | Format |
|---|---|---|---|---|
| diffdock (this skill)by jaechang-hits | 83 | 367 | 37d ago | SKILL.md |
| Agent-Reachby Panniantong | 100 | 91.2k | 19d ago | CLAUDE.md |
| Scraplingby D4Vinci | 100 | 85.7k | today | MCP Server |
| rufloby ruvnet | 100 | 73.9k | today | MCP Server |
| algorithmic-artby anthropics | 100 | 177.9k | 12d ago | SKILL.md |
Frequently asked questions
- How do I install diffdock?
- Run
npx skills add jaechang-hits/SciAgent-Skills --skill diffdock. The install tabs above show the steps for each supported agent. - Which AI agents does diffdock work with?
- It is written for Universal, as a SKILL.md file. Other agents that read the same format can often use it too.
- Is diffdock safe to use?
- It declares no license and scores 88/100 on trust signals. Skills are instructions an agent will follow, so read the file before installing it and do not approve commands you do not understand.
- Is diffdock still maintained?
- The repository was last updated 37 days ago, so diffdock is actively maintained.
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Languages
Trust signals
From repository metadata: license, adoption, age and documentation. Not a code audit — see the Safety scan above for what the skill file itself contains.