Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.
8.7
Rating
0
Installs
Machine Learning
Category
Exceptional molecular featurization skill with comprehensive coverage. The SKILL.md provides crystal-clear descriptions enabling easy invocation by CLI agents, extensive task knowledge with practical workflows (QSAR, virtual screening, similarity search), and excellent logical structure with a concise overview and well-organized reference files. The skill addresses a genuinely complex domain—unifying 100+ molecular featurizers that would otherwise require extensive domain expertise and many tokens for a CLI agent to discover and implement correctly. Minor deduction on novelty as some basic fingerprint calculations could theoretically be done with fewer tokens, though the unified API, pretrained models, and comprehensive featurizer catalog provide substantial value. The three-tier hierarchy (calculators/transformers/pretrained), decision guides for featurizer selection, and integration examples demonstrate deep domain expertise packaged for immediate use.
davila7
Skill Author
Loading SKILL.md…
