datamol
datamol is a Chemistry & materials skill for AI agents, published by K-Dense-AI in the scientific-agent-skills repository on GitHub. Skillspace rates datamol C (79/100) and it passed the safety scan; a judge model has also reviewed it.
Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly.
- Grade
- C
- Quality
- 79 / 100
- Safety
- Passed
- GitHub stars
- 44,723
Placed #3 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
- 97 / 100
- Maturity
- Packaged: licensed, with a version or references
- Security scan
- No issues found
- License
- Not declared. Check the repository before reusing it.
Judge review
Placed #3 of 6 in the judged category final for Chemistry & materials.
- Trigger
85 85 - Instructions
88 88 - Specificity
92 92 - Safety
88 88 - Disclosure
92 92 - Maintenance
90 90
Version-pinned wrapper guide with a genuine lean-core-plus-references structure across six purpose-built docs.
Clean, version-pinned datamol reference with a genuine progressive-disclosure structure pointing to six purpose-built reference files.
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
Also published in 1 other repo
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