molfeat
molfeat is a Chemistry & materials skill for AI agents, published by K-Dense-AI in the drug-discovery-agent-skills repository on GitHub. Skillspace rates molfeat C (72/100) and it passed the safety scan; the rating is based on static analysis only.
Molecular featurization hub with one consistent interface over 100+ featurizers. Fingerprints (ECFP/Morgan, MACCS, atom pair, topological torsion, Avalon, RDKit, ERG), RDKit and Mordred descriptor sets, pharmacophore and 3D shape descriptors, scaffold keys, and pretrained embeddings (ChemBERTa, ChemGPT, MolT5, GIN, Graphormer) through a common transformer API with caching and parallelism. Use this skill to convert SMILES into model-ready feature matrices for QSAR, virtual screening, and molecular ML, and to choose between featurizer families. Also trigger on molfeat, MoleculeTransformer, FPVecTransformer, PretrainedHFTransformer, molfeat model store, or featurizer selection.
- Grade
- C
- Quality
- 72 / 100
- Safety
- Passed
- GitHub stars
- 28
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
- 91 / 100
- Maturity
- Packaged: licensed, with a version or references
- Security scan
- Low-risk patterns
- License
- Not declared. Check the repository before reusing it.
What the scanner flagged
- mentions secrets in text
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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