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Matminer Composition Featurization

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Use this skill to compute deterministic stoichiometry-style composition features for a short list of formulas with `matminer`.

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  • Added September 8, 2026
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Scanned September 8, 2026

npx -y skills add ma-compbio-lab/SkillFoundry --skill matminer-composition-featurization --agent claude-code

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SKILL.md
# Matminer Composition Featurization

Use this skill to compute deterministic stoichiometry-style composition features for a short list of formulas with `matminer`.

## What it does

- Parses one or more formulas with `pymatgen`.
- Computes `matminer` stoichiometry features for each composition.
- Returns compact JSON with reduced formulas, simple stoichiometry norms, and top element fractions.

## When to use it

- You need a first runnable materials-informatics starter in this repository.
- You want a light composition-featurization template before moving to heavier property-prediction workflows.

## Example

```bash
slurm/envs/materials/bin/python skills/materials-science-and-engineering/matminer-composition-featurization/scripts/run_matminer_composition_features.py \
  --formula Fe2O3 \
  --formula LiFePO4 \
  --out scratch/materials/matminer_features.json
```

## Verification

- Skill-local tests: `python3 -m unittest discover -s skills/materials-science-and-engineering/matminer-composition-featurization/tests -p 'test_*.py'`
- Repository smoke: `python3 -m unittest tests.smoke.test_frontier_domain_skills -v`

Files in this skill

  • SKILL.md1.1 KB
  • assets/README.md112 B
  • assets/toy_composition_features.json1.1 KB
  • examples/README.md289 B
  • metadata.yaml1.2 KB
  • refs.md189 B
  • scripts/run_matminer_composition_features.py3.3 KB
  • tests/README.md124 B
  • tests/test_run_matminer_composition_features.py1.8 KB

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