pycalphad SKILL.md skillA
pycalphad 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/pycalphad@v1.1Pins v1.1 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/pycalphad/SKILL.md- Versions recorded
- 2
- Latest version
- v1.1, committed Oct 1, 2026
- First version recorded
- Sep 30, 2026
- Size
- 8,194 bytes
- Repository stars
- 56,497
- License
- MIT
Computes finite-temperature CALPHAD equilibria, phase fractions, and phase compositions from thermodynamic TDB databases using pycalphad. Use for alloy phase stability, equilibrium temperature sweeps, tie lines, lever-rule checks, or reproducible phase-fraction calculations with explicit components and mole-fraction conditions.
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
# pycalphad: TDB equilibrium calculations ## When to use Use for equilibrium phase fractions and compositions at a fixed bulk elemental mole composition, specified pressure, and a list of finite temperatures. The bundled helper executes real pycalphad equilibria, checks mass balance, repeats at greater sampling density, and exports each stable composition set separately. Equilibrium is constrained by the selected database, components, phases, and conditions. It does not predict precipitation rates, retained metastable microstructures, or properties of phases missing from the database. Successful numerical checks do not establish the database's experimental accuracy. ## Workflow 1. Identify the TDB's source, license, assessment/publication, valid temperature/pressure and composition range, and required elements. Use the user's database for real alloys. The bundled [assets/ideal-cu-ni.tdb](assets/ideal-cu-ni.tdb) is an original hypothetical teaching model, **not an assessed Cu-Ni database**. 2. Inspect database elements and phases. Select the relevant phases deliberately; record exclusions because they can turn the calculation into a metastable constrained result. …
Read the whole file at its exact version.
How to install
mdr add k-dense-ai/scientific-agent-skills/pycalphad@sha256:7748a9413e225663The line at the top of this page pins the label v1.1, 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_mt56xm3uhctvaseu)
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Versions
The registry has recorded 2 versions of this file, between Sep 30, 2026 and Oct 1, 2026, more than one a day.
| version | committed | commit | size | audit | |
|---|---|---|---|---|---|
| v1.1 latest | 2026-10-01 | a92663a | 8,194 B | A | view · diff |
| v1.0 | 2026-09-30 | 9c044a1 | 7,019 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 (8194 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 · 56,497 stars · license MIT · pushed 2026-11-02 · branch main
API
GET https://markdownregistry.com/api/v1/artifacts/art_mt56xm3uhctvaseu GET https://markdownregistry.com/api/v1/resolve?ref=k-dense-ai/scientific-agent-skills/pycalphad GET https://markdownregistry.com/api/v1/blob/7748a9413e22566316893d882596b5c2a321e9e03de93e6097c59a003e899a24
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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