ase SKILL.md skillA
ase from jinzhezenggroup/computational-chemistry-agent-skills is an agent skill: a SKILL.md folder an AI agent loads when a task calls for it.
mdr add jinzhezenggroup/computational-chemistry-agent-skills/ase@v0.1.0Pins v0.1.0 in mdr.lock. Pin the fingerprint instead.
- Audit grade
- A, 17 of 17 checks passed
- Kind
- SKILL.md skill
- Repository
- jinzhezenggroup/computational-chemistry-agent-skills
- Path
atomistic-workflows/ase/SKILL.md- Versions recorded
- 1
- Latest version
- v0.1.0, committed Mar 24, 2026
- Size
- 1,695 bytes
- Repository stars
- 156
- License
- LGPL-3.0
Unified ASE router skill with a tree of subskills for static/relax/MD/NEB workflows and backend adapters (GPAW, MACE). Use when you need backend-agnostic workflow orchestration while keeping calculator-specific setup isolated in adapter subskills, with reproducible task preparation as output.
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
# ASE Top-Level Router Use this skill as the unified entry point for ASE ecosystem tasks. ## Purpose This skill routes requests to one branch under the ASE tree: - `ase/ase-workflows` - `ase/ase-calculators` ## Scope This top-level router should: - decide whether the request is workflow-level or backend-adapter-level - gather the minimum context required for the selected branch - delegate details to the corresponding branch router - keep workflow logic and backend logic separated This top-level router should not: - hardcode task-specific or backend-specific parameters directly - execute calculations directly ## Routing rules 1. task intent is static/relax/md/neb workflow -> `ase/ase-workflows` 1. task intent is backend selection/configuration -> `ase/ase-calculators` 1. if mixed request, route to `ase/ase-workflows` first, then call `ase/ase-calculators` as dependency ## Output from top-level router Provide: 1. selected ASE branch path 1. reason for branch selection 1. missing minimum inputs 1. explicit next delegation step
Read the whole file at its exact version.
How to install
mdr add jinzhezenggroup/computational-chemistry-agent-skills/ase@sha256:a9a134893bc1f386The line at the top of this page pins the label v0.1.0, 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_w5qqqhwqwhlrzren)
3 badge image fetches in 30 days. What the badge shows.
Versions
The registry has recorded 1 version of this file, committed on Mar 24, 2026.
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 (1695 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
jinzhezenggroup/computational-chemistry-agent-skills · 156 stars · license LGPL-3.0 · pushed 2026-11-02 · branch master
API
GET https://markdownregistry.com/api/v1/artifacts/art_w5qqqhwqwhlrzren GET https://markdownregistry.com/api/v1/resolve?ref=jinzhezenggroup/computational-chemistry-agent-skills/ase GET https://markdownregistry.com/api/v1/blob/a9a134893bc1f3869f73a257cf68a97985a8c85462e1e637c1324f2a90045ce1
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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