diffdock
diffdock is a Bioinformatics & life sciences skill for AI agents, published by aipoch in the open-science repository on GitHub. Skillspace rates diffdock D (66/100) and it passed the safety scan; the rating is based on static analysis only.
Predict small-molecule binding poses with DiffDock-L (Corso et al. 2023/2024, github.com/gcorso/DiffDock) — blind diffusion docking that places a ligand into a protein pocket without a predefined search box and ranks the samples with a learned confidence model. Reach for this skill to dock a SMILES or SDF against a PDB, to generate ranked 3D poses for a small fragment library, or to get a starting pose for downstream rescoring. DiffDock predicts geometry, not affinity.
- Grade
- D
- Quality
- 66 / 100
- Safety
- Passed
- GitHub stars
- 4,174
Unproven: rated by static analysis only, not yet compared head-to-head.
This rating describes the version of the repository we crawled; it may have changed since, so go by its current files.
Our review
- Architecture
- 84 / 100
- Maturity
- Basic: a single SKILL.md
- Security scan
- No issues found
- License
- Not declared. Check the repository before reusing it.
Not checked yet
- Category is a classifier prediction; no model has read this skill yet
- Not judged on the rubric yet (not a contender in its category)
- 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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