sk Skill · K-Dense-AI
molfeat
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…
Open on skills.sh ↗read 2026-09-17
- installs 8w
- 0
- 30-day movement
- starts with the next reading
- Related entries
- 4
- Connections
- 1
pythonbashPython
- Host repository
- K-Dense-AI/drug-discovery-agent-skills
- Version
- 1.4
- Allowed tools
- Read Write Edit Bash
- Compatible with
- Requires Python 3.9–3.10 (molfeat 0.11.0 declares `requires-python <3.11`). Requires datamol, RDKit, and PyTorch
- Licence
- MIT
- Host stars
- 30
- Host language
- Python