pymatgen

Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.

Quality

72%

Does it follow best practices?

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Securityby

Passed

No findings from the security scan

Fix and improve this skill with Tessl

tessl review fix ./bundled/skills/pymatgen/SKILL.md

Quality

Content

72%Weight 40%Scale 1-3

Reviews the quality of instructions and guidance provided to agents. Good implementation is clear, handles edge cases, and produces reliable results.

The body is highly actionable with executable examples and excellent progressive disclosure to real reference files, but it is verbose for a SKILL.md overview and its multi-step workflows lack explicit validation checkpoints.

Suggestions

Add explicit validation/verification checkpoints to the multi-step workflows (e.g. 'Verify the relaxation converged before running the static calculation') and a validation step to the batch high-throughput generation.

Tighten redundant overview sections and trim basic-info blocks (Units and Conventions, Integration with Other Tools) to reduce token load, leaving detailed reference material in the bundled reference files.

Dimension	Reasoning	Score
Conciseness	The body is mostly actionable code, but at roughly 680 lines it carries redundancy (Overview vs When to Use vs Core Capabilities) and basic-info sections (Units and Conventions, Integration with Other Tools) that could be tightened, matching the 'mostly efficient but includes some unnecessary explanation' anchor.	2 / 3
Actionability	It provides extensive fully executable, copy-paste-ready Python examples and exact CLI commands (e.g. 'Structure.from_file("POSCAR")', 'python scripts/structure_converter.py POSCAR structure.cif') throughout every capability section.	3 / 3
Workflow Clarity	Multi-step workflows (Band Structure, Surface Energy, High-Throughput) are clearly sequenced but lack explicit validation/verification checkpoints, and the batch high-throughput workflow has no validation, so workflow clarity is capped at 2.	2 / 3
Progressive Disclosure	Each capability section gives a concise inline example then a clearly signaled one-level-deep reference ('See references/x.md'), all referenced files exist, and an explicit Bundled Resources section aids navigation, matching the clear-overview-with-well-signaled-references anchor.	3 / 3
	Total	10 / 12 Passed

Description

72%Weight 40%Scale 1-3

Based on the skill's description, can an agent find and select it at the right time? Clear, specific descriptions lead to better discovery.

The description is specific and highly distinctive with strong natural trigger terms for materials science, but it lacks an explicit 'Use when...' clause and frames capabilities as nouns rather than verb-led actions.

Suggestions

Add an explicit trigger clause, e.g. 'Use when working with crystal structures, CIF/POSCAR files, phase diagrams, band structures, or the Materials Project API.'

Reframe capabilities as concrete verb-led actions (e.g. 'Create and convert crystal structures, compute phase diagrams, analyze band structure and DOS') instead of noun-capabilities under 'toolkit'.

Dimension	Reasoning	Score
Specificity	The description lists specific concrete items ('Crystal structures (CIF, POSCAR)', 'phase diagrams', 'band structure, DOS', 'Materials Project integration', 'format conversion') but frames them as noun-capabilities under a generic 'toolkit' opener rather than verb-led actions, matching the anchor that names a domain and some actions without being comprehensive verb-actions.	2 / 3
Completeness	It clearly states what the skill does but includes no 'Use when...' clause or equivalent explicit trigger guidance, so per the judging guidelines completeness is capped at 2.	2 / 3
Trigger Term Quality	Terms like 'CIF', 'POSCAR', 'phase diagrams', 'band structure', 'DOS', and 'Materials Project' are exactly the natural keywords a computational materials-science user would say, giving good coverage of common variations.	3 / 3
Distinctiveness Conflict Risk	The CIF/POSCAR/Materials Project/phase-diagram triggers carve out a clear niche in computational materials science that is unlikely to overlap with or mis-trigger other skills.	3 / 3
	Total	10 / 12 Passed

Validation

81%

Warnings & errors only

Checks the skill against the spec for correct structure and formatting. All validation checks must pass before discovery and implementation can be scored.

Validation — 13 / 16 Passed

Validation for skill structure

Criteria	Description	Result
skill_md_line_count	SKILL.md is long (689 lines); consider splitting into references/ and linking	Warning
metadata_version	'metadata.version' is missing	Warning
referenced_paths_exist	Referenced path issues: 1 missing	Warning

	Total	13 / 16 Passed

Repository: foryourhealth111-pixel/Vibe-Skills
Path: bundled/skills/pymatgen/SKILL.md
Commit: f627ab5

Reviewed: 10 days ago

Table of Contents

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