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Matminer composition featurization

Skill ma-compbio-lab/SkillFoundry/skills/materials-science-and-engineering/matminer-composition-featurization

A framework for discovering, compiling, and validating reusable skills for scientific agents.From the repository description

Install
npx -y skills add ma-compbio-lab/SkillFoundry --skill matminer-composition-featurization

Assembled from the repository path, not quoted from the project. Check it against their README if it does not work.

SKILL.md

1.1 KB, 253 tokens by cl100k_base, as published. Nobody here has run it

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

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

What ships with it: 8 files

8.1 KB alongside SKILL.md, 2 of them executable

assets/

examples/

scripts/

tests/

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