molfeat
✓Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.
Installation
SKILL.md
Molfeat is a comprehensive Python library for molecular featurization that unifies 100+ pre-trained embeddings and hand-crafted featurizers. Convert chemical structures (SMILES strings or RDKit molecules) into numerical representations for machine learning tasks including QSAR modeling, virtual screening, similarity searching, and deep learning applications. Features fast parallel processing, scikit-learn compatib...
Callable objects that convert individual molecules into feature vectors. Accept RDKit Chem.Mol objects or SMILES strings.
Scikit-learn compatible transformers that wrap calculators for batch processing with parallelization.
Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML. Source: ovachiever/droid-tings.
Facts (cite-ready)
Stable fields and commands for AI/search citations.
- Install command
npx skills add https://github.com/ovachiever/droid-tings --skill molfeat- Source
- ovachiever/droid-tings
- Category
- </>Dev Tools
- Verified
- ✓
- First Seen
- 2026-02-01
- Updated
- 2026-02-18
Quick answers
What is molfeat?
Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML. Source: ovachiever/droid-tings.
How do I install molfeat?
Open your terminal or command line tool (Terminal, iTerm, Windows Terminal, etc.) Copy and run this command: npx skills add https://github.com/ovachiever/droid-tings --skill molfeat Once installed, the skill will be automatically configured in your AI coding environment and ready to use in Claude Code or Cursor
Where is the source repository?
https://github.com/ovachiever/droid-tings
Details
- Category
- </>Dev Tools
- Source
- skills.sh
- First Seen
- 2026-02-01