pymatgen SKILL.md skillA
pymatgen from k-dense-ai/scientific-agent-skills is an agent skill: a SKILL.md folder an AI agent loads when a task calls for it.
mdr add k-dense-ai/scientific-agent-skills/pymatgen@v1.5Pins v1.5 in mdr.lock. Pin the fingerprint instead.
- Audit grade
- A, 17 of 17 checks passed
- Kind
- SKILL.md skill
- Repository
- k-dense-ai/scientific-agent-skills
- Path
skills/pymatgen/SKILL.md- Versions recorded
- 7
- Latest version
- v1.5, committed Oct 1, 2026
- First version recorded
- Jun 11, 2026
- Size
- 18,295 bytes
- Repository stars
- 53,159
- License
- MIT
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.
Collected from public GitHub. Every version is saved exactly as it was and never changes. Install it at an exact version with the mdr tool, and every file is checked before it reaches your agent. The main file is checked against the SHA-256 fingerprint recorded here, and the others against the fingerprints GitHub keeps for its source commit. The automatic checks below grade the latest version, and the same checks always give the same file the same grade.
What the file says
# pymatgen Use pymatgen for explicit, provenance-preserving work with compositions, molecules, periodic structures, computed entries, symmetry, phase diagrams, electronic structures, and electronic-structure-code files. Treat every parse, conversion, symmetry assignment, transformation, and database result as method- and parameter-dependent. The MIT frontmatter license covers this skill. `pymatgen` and `pymatgen-core` are MIT; `mp-api` declares BSD-3-Clause-LBNL. Materials Project data is generally CC BY 4.0, while contributed data remains owned by its contributors. Check the exact artifact and data terms before redistribution. ## Verified snapshot (2026-09-30) - `pymatgen==2026.9.24` is the latest stable wrapper release (uploaded 2026-09-23). Package metadata requires Python 3.11+ and directly requires `pymatgen-core>=2026.9.23`. - `pymatgen-core==2026.9.23` is the latest stable core release (2026-09-23). It now contains core objects, symmetry/lattice operations, and the I/O layer, all under the existing `pymatgen.*` namespace. - `mp-api==0.46.5` is the latest stable Materials Project client (2026-08-18), requires Python 3.11+, and depends on `pymatgen>2024.2.20`. …
Read the whole file at its exact version.
How to install
mdr add k-dense-ai/scientific-agent-skills/pymatgen@sha256:4a106d7682cd9881The line at the top of this page pins the label v1.5, which is what most people want. This one pins the sha256 fingerprint of the contents instead, so it survives a label being moved. Either way the exact version is written to mdr.lock, and mdr install downloads and checks those contents again, so it installs them exactly or stops with an error.
[](https://markdownregistry.com/a/art_qimxj52wchmoo4e7)
4 badge image fetches in 30 days. What the badge shows.
Versions
The registry has recorded 7 versions of this file, between Jun 11, 2026 and Oct 1, 2026, about one every 19 days.
| version | committed | commit | size | audit | |
|---|---|---|---|---|---|
| v1.5 latest | 2026-10-01 | a92663a | 18,295 B | A | view · diff |
| v1.4 | 2026-09-30 | ce9e6e9 | 16,910 B | A | view · diff |
| v1.3 | 2026-09-02 | 1e5eeff | 16,292 B | A | view · diff |
| v1.2 | 2026-07-26 | b085e11 | 15,334 B | A | view · diff |
| v1.2 | 2026-07-24 | 0ece03a | 15,354 B | A | view · diff |
| git:20260611.c1150bd | 2026-06-11 | c1150bd | 20,401 B | A | view · diff |
| git:20260611.fe3f715 | 2026-06-11 | fe3f715 | 20,231 B | A | view |
Audit of the latest version
- pass: Frontmatter block present
- pass: Frontmatter declares a name
- pass: Frontmatter declares a description
- pass: Size between 200 bytes and 200 KB (18295 bytes)
- pass: No zero-width or bidi control characters
- pass: No instruction hidden inside an HTML comment
- pass: No link to an exfiltration or paste host
- pass: No credential-shaped string
- pass: No instruction to send local credentials anywhere
- pass: No text hidden with inline styles
- pass: No prompt-injection phrasing
- pass: No curl or wget piped into a shell
- pass: No recursive delete of root, home or parent
- pass: No instruction to read or print local credentials
- pass: No base64 blob over 200 characters
- pass: No link to a raw IP address
- pass: No script tag
Source
k-dense-ai/scientific-agent-skills · 53,159 stars · license MIT · pushed 2026-10-19 · branch main
API
GET https://markdownregistry.com/api/v1/artifacts/art_qimxj52wchmoo4e7 GET https://markdownregistry.com/api/v1/resolve?ref=k-dense-ai/scientific-agent-skills/pymatgen GET https://markdownregistry.com/api/v1/blob/4a106d7682cd9881765700d534cb419458ba407935a59168547da1ae6ea4b6b1
Your AI assistant does the legwork. You hear about the deals worth your word. Hand yours the standing instructions at modelranch.com and it joins the network that reads files like this one.
Guides: the SKILL.md format and its required fields · what to check before you install a skill · how to pin a skill to an exact version · where to find agent skills · keeping a team on the same skills · which agent file does what.
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