deepmd-train SKILL.md skillA
deepmd-train 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/deepmd-train@v1.2Pins v1.2 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
machine-learning-potentials/deepmd-train/SKILL.md- Versions recorded
- 2
- Latest version
- v1.2, committed Oct 15, 2026
- First version recorded
- Jun 19, 2026
- Size
- 7,159 bytes
- Repository stars
- 156
- License
- LGPL-3.0
Train DeePMD-kit models with progressive disclosure. Use when the user wants to train a DeePMD-kit potential, prepare an input.json, choose between model families such as se_e2_a/DeepPot-SE, DPA3, DPA4/SeZM, and DPA4C, run `dp train`, monitor learning curves, freeze checkpoints, or test trained models. Start with model selection and read only the selected model reference under `models/` when model-specific configuration is needed.
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
# DeePMD-kit Training Use this skill to guide DeePMD-kit model training without loading every model-specific recipe up front. The workflow is intentionally progressive: 1. Understand the user's data, target accuracy, compute budget, and deployment backend. 1. Choose an appropriate model family. 1. Read only the reference file for the selected model under [`models/`](models/). 1. Generate or edit `input.json`, run training, monitor, freeze, and test. ## Progressive disclosure protocol Do not start by reading every model document. First classify the request: - If the user already named a model, read only that model reference. - If the user asks for a recommendation, collect the decision inputs below, choose a model, then read only the selected reference. - If model-specific parameters are not needed yet, stay in this top-level workflow. Available model references: | Model reference | Read when | …
Read the whole file at its exact version.
How to install
mdr add jinzhezenggroup/computational-chemistry-agent-skills/deepmd-train@sha256:34c3f9ffa61889f2The line at the top of this page pins the label v1.2, 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_olqtbe3zd4yxvkov)
3 badge image fetches in 30 days. What the badge shows.
Versions
The registry has recorded 2 versions of this file, between Jun 19, 2026 and Oct 15, 2026, about one every 118 days.
| version | committed | commit | size | audit | |
|---|---|---|---|---|---|
| v1.2 latest | 2026-10-15 | 2be3c0b | 7,159 B | A | view · diff |
| v1.1 | 2026-06-19 | 93ea0c4 | 5,825 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 (7159 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_olqtbe3zd4yxvkov GET https://markdownregistry.com/api/v1/resolve?ref=jinzhezenggroup/computational-chemistry-agent-skills/deepmd-train GET https://markdownregistry.com/api/v1/blob/34c3f9ffa61889f2e12a7662c7d7f579fc30839a8071ed898c14c87816b8e50a
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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