diffdock
DiffDock and DiffDock-L molecular docking. Use for protein-small-molecule pose prediction from PDB or sequence plus SMILES/SDF/MOL2, batch docking, virtual screening, and pose-confidence interpretation. Not for binding affinity prediction.
Install / Use
npx skills add K-Dense-AI/scientific-agent-skills --skill diffdockInstalls into whichever agent you are using.
SKILL.md
Installable skill definition
Quality Score
Category
OperationsSupported Platforms
Our assessment of diffdock
diffdock scores 89/100 on our quality scale, 36th of 143 Operations skills we index (top 26%).
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.
With 46,441 GitHub stars, it is one of the more widely adopted skills in the catalogue.
Maintenance, license and trust
- The repository was last updated 3 days ago, so diffdock is actively maintained.
- It is released under the MIT license, a permissive license that allows use, modification and commercial use with attribution.
- Its trust signals score 100/100, with no cautions. 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 K-Dense-AI | 89 | 46.4k | 3d ago | SKILL.md |
| Agent-Reachby Panniantong | 100 | 85.3k | 9d ago | CLAUDE.md |
| headroomby headroomlabs-ai | 100 | 73.7k | today | CLAUDE.md |
| Scraplingby D4Vinci | 100 | 83.4k | today | MCP Server |
| LocalAIby mudler | 100 | 49.3k | today | MCP Server |
Frequently asked questions
- How do I install diffdock?
- Run
npx skills add K-Dense-AI/scientific-agent-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 is MIT-licensed and scores 100/100 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 3 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.