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molfeat

Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.

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Install

armory install molfeat --cli claude

writes the skill into.claude/skills/molfeat/SKILL.mdListed as compatible

Configuration
# fetches the source and writes it to:
.claude/skills/molfeat/SKILL.md

Needs the armory CLI · not on npm yet, build it from cli/ in the repository

What it is

Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.

When to use it

Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.

How to install / invoke

# Copy the skill into your .claude/skills/ directory
curl -sL https://raw.githubusercontent.com/davila7/claude-code-templates/main/cli-tool/components/skills/scientific/molfeat/SKILL.md -o .claude/skills/molfeat/SKILL.md

Notes

Extracted from davila7/claude-code-templates, molfeat category.