pymatgen

SAFE max severity SAFESkillSpector Do not install 86 registry K-Dense-AI last scanned 1 scan

No security findings. Scanned 1 time, most recently 2026-10-21.

Second scanner: NVIDIA SkillSpector

The two scanners disagree: Cisco found nothing and SkillSpector says do not install. One of them has a blind spot here; read the skill before trusting either. How the two scanners compare across the whole corpus: Two scanners, one corpus.

What this skill does

Analyzes, validates, converts, and transforms materials structures and computed materials data with pymatgen. Use for local phase diagrams, symmetry sensitivity, electronic-structure I/O, and bounded Materials Project queries.

Package
15 files, 173 KB
SKILL.md
1984 words, 12+ sections
Code
Python (9)
Allowed tools
Read Write Bash Glob Python
License
MIT
Compatibility
Python 3.11+ with uv. The verified snapshot uses pymatgen 2026.9.24, pymatgen-core 2026.9.23, and mp-api 0.46.5. Bundled help and planning CLIs use only the standard library; local scientific execution lazily requires the pinned pymatgen packages. Materials Project access additionally requires explicit network approval and the single named secret MP_API_KEY.

SKILL.md covers: pymatgen · Verified snapshot (2026-09-30) · Required workflow · Core objects · Safe local structure intake · Symmetry · Conversion and parser/writer I/O · Transformations and provenance · Local phase diagrams · Band structures, DOS, VASP, and Q-Chem · Materials Project: plan before network · Bundled CLIs

Findings

No findings. SAFE

What is in the package

FileKindSize
SKILL.mddoc18 KB
references/analysis_modules.mddoc11 KB
references/core_classes.mddoc9.5 KB
references/io_formats.mddoc12 KB
references/materials_project_api.mddoc18 KB
references/transformations_workflows.mddoc13 KB
scripts/_common.pyscript13 KB
scripts/artifact_manifest.pyscript5.5 KB
scripts/composition_structure_validator.pyscript11 KB
scripts/io_conversion_plan.pyscript6.8 KB
scripts/mp_query.pyscript15 KB
scripts/phase_diagram_generator.pyscript14 KB
scripts/structure_analyzer.pyscript11 KB
scripts/structure_converter.pyscript7.8 KB
scripts/symmetry_sensitivity_report.pyscript7.5 KB

External hosts referenced

pymatgen.org docs.materialsproject.org github.com api.materialsproject.org materialsproject.org pypi.org arxiv.org doi.org export.arxiv.org materialsproject.github.io next-gen.materialsproject.org

Hostnames that appear in the skill's files. Referencing a host is not a finding; compare against the findings above and the skill's stated purpose.

Environment variables referenced

MP_API_KEY

Package contents recorded 2026-10-22 at commit 593377bb0487. The scan above ran against the version current at scan time; the two can differ if the skill has since been updated.

What we checked

What we did not check

Sources