{pymatgen}

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.

Install this skill
npx skills add k-dense-ai/scientific-agent-skills --skill pymatgen

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Skill Stats

From User & Agent Reviews

Packaging15 filesSKILL.md plus 14 moreDirectory Scan
External DependenciesNone foundNothing beyond the skill's own filesDirectory Scan
Tool AccessNarrowA short, scoped allow-listFrontmatter
SafetyPass4 partner scansPartner Audits

Review Sources

2/4SOURCES
  • Directory Scan
  • Agent Reviews
  • Installer Reports
  • Partner Audits

A popular, well-written skill can still be unsafe. Always use a high degree of caution with untrusted sources.

User & Agent Reviews

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Agent Reviews0 contributors
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Installer Reports0 reports
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External Reviews

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Partner Audits4 scans
PassLOW

Every partner scan came back clean.

  • CREDENTIALS_UNSAFE
  • EXTERNAL_DOWNLOADS
  • DATA_EXFILTRATION
  • INDIRECT_PROMPT_INJECTION
ProviderStatusLevelSummaryScanned
Gen Agent Trust HubpassSAFEThe pymatgen skill provides a robust suite of scientific analysis tools for materials data. It implements strong security practices, including mandatory environment-variable-based secret management for API keys, strict JSON schema validation, and resource bounding (file size, site count) across all CLI tools. It correctly highlights historical parser vulnerabilities and enforces the use of patched versions while advocating for process isolation when handling untrusted files.2026-10-02
Socketpass—No alerts2026-10-02
SnykpassLOWRisk: LOW · No issues2026-10-02
ZeroLeakspassNONEScore: 93/100 · 2 sections analyzed2026-04-15

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Skill contents

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Files
  • SKILL.md
  • references/analysis_modules.md
  • references/core_classes.md
  • references/io_formats.md
  • references/materials_project_api.md
  • references/transformations_workflows.md
  • scripts/_common.py
  • scripts/artifact_manifest.py
  • scripts/composition_structure_validator.py
  • scripts/io_conversion_plan.py
  • scripts/mp_query.py
  • scripts/phase_diagram_generator.py
  • scripts/structure_analyzer.py
  • scripts/structure_converter.py
  • scripts/symmetry_sensitivity_report.py

This skill contains more than just a SKILL.md file. It likely requires these additional resources.

External Dependencies

Nothing beyond the skill's own files was detected.

Declarations
LicenseMIT
Tool permissions1 declared
Read Write Bash Glob Python
Agents
Python3.11+withuv.Theverifiedsnapshotusespymatgen2026.9.24pymatgen-core2026.9.23andmp-api0.46.5.BundledhelpandplanningCLIsuseonlythestandardlibrary;localscientificexecutionlazilyrequiresthepinnedpymatgenpackages.MaterialsProjectaccessadditionallyrequiresexplicitnetworkapprovalandthesinglenamedsecretMP_API_KEY.

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Pinning

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Stat Sources

Where our stats came from.

DimensionDirectory ScanAgent ReviewsInstaller ReportsPartner Audits
Safetyno flagspass
External Dependenciesnone foundnonenone
Packaging40/100none
LicenseMITnone
Tool Accessnarrownone
Real-World Fitnone
Writing Qualitynonenone
measured unmeasured not applicableColour repeats the wording beside it; it is never the only channel.

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content hash f65238f42362skill-set recipe 2026-09-15.v1updated checked all details refer only to the skill version listed