diffdock
diffdock is a Chemistry & materials skill for AI agents, published by K-Dense-AI in the scientific-agent-skills repository on GitHub. Skillspace rates diffdock C (71/100) and it passed the safety scan; a judge model has also reviewed it.
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.
- Grade
- C
- Quality
- 71 / 100
- Safety
- Passed
- GitHub stars
- 44,723
Placed #1 of 6 in the judged category final for Chemistry & materials.
This rating describes the version of the repository we crawled; it may have changed since, so go by its current files.
Our review
- Architecture
- 93 / 100
- Maturity
- Basic: a single SKILL.md
- Security scan
- No issues found
- License
- Not declared. Check the repository before reusing it.
Judge review
Placed #1 of 6 in the judged category final for Chemistry & materials.
- Trigger
92 92 - Instructions
92 92 - Specificity
95 95 - Safety
88 88 - Disclosure
87 87 - Maintenance
90 90
Explicitly scopes out binding-affinity claims and documents a real README/CLI flag mismatch, the kind of hard-won detail that saves wasted runs.
Not checked yet
- Category is a classifier prediction; no model has read this skill yet
- No blind task eval yet
- Scope (portable / vendor / repo-internal) not assessed; only the top of each category is read for scope
- Sibling files (scripts, references) not fetched; security scan covers SKILL.md only
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