dpgen-simplify SKILL.md skillA
dpgen-simplify 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/dpgen-simplify@v0.2.0Pins v0.2.0 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
machine-learning-potentials/dpgen-simplify/SKILL.md- Versions recorded
- 4
- Latest version
- v0.2.0, committed Sep 12, 2026
- First version recorded
- Mar 30, 2026
- Size
- 10,794 bytes
- Repository stars
- 156
- License
- LGPL-3.0
Prepare, explain, validate, and run DP-GEN simplify workflows for reducing repeated or redundant DeepMD datasets. Use when the user wants to generate or modify `param.json` and `machine.json`, run `dpgen simplify param.json machine.json`, organize repeated simplify experiments, or inspect simplify outputs.
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
# DP-GEN Simplify Use this skill when the user wants to prepare, explain, validate, or execute the `dpgen simplify` workflow. This skill is for dataset simplification workflows where the user already has candidate data in DeepMD-compatible format and wants to reduce repeated or redundant structures through iterative selection. ## Core Rule (Critical) DP-GEN simplify always uses **two parameter classes** and therefore **two JSON files**: - **Workflow parameters** -> `param.json` - **Execution / machine parameters** -> `machine.json` Run exactly: ```bash dpgen simplify param.json machine.json ``` Environment boundary rule: - Outer layer: run `dpgen simplify param.json machine.json` in an activated environment where `dpgen -h` works. - Inner layer: for scheduler stages, explicitly activate runtime in `resources.source_list` on the server side. ## Agent responsibilities When using this skill, the agent should: 1. confirm that the task is a simplify workflow 1. check whether existing configs or templates are already available 1. collect only the missing dataset, training, FP, and machine inputs 1. generate or patch `param.json` 1. generate or patch `machine.json` …
Read the whole file at its exact version.
How to install
mdr add jinzhezenggroup/computational-chemistry-agent-skills/dpgen-simplify@sha256:3010a59ffcdff4cbThe line at the top of this page pins the label v0.2.0, 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_6jihg7c7p6u6crgn)
3 badge image fetches in 30 days. What the badge shows.
Versions
The registry has recorded 4 versions of this file, between Mar 30, 2026 and Sep 12, 2026, about one every 55 days.
| version | committed | commit | size | audit | |
|---|---|---|---|---|---|
| v0.2.0 latest | 2026-09-12 | 2d6e862 | 10,794 B | A | view · diff |
| v0.2.0 | 2026-09-12 | ecb25b4 | 10,815 B | A | view · diff |
| v0.2.0 | 2026-03-30 | 0475acb | 10,491 B | A | view · diff |
| v0.2.0 | 2026-03-30 | a019524 | 9,022 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 (10794 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_6jihg7c7p6u6crgn GET https://markdownregistry.com/api/v1/resolve?ref=jinzhezenggroup/computational-chemistry-agent-skills/dpgen-simplify GET https://markdownregistry.com/api/v1/blob/3010a59ffcdff4cbc3ed5488c0289fedcf7b6e6fe4592e800cda0ba4a7833e23
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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