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Agent skill

Deepmd Router

by Hello-QM in Hello-QM/catgo-LRG

Route DeePMD-kit requests to training or inference sub-skills.

AGPL-3.0Auto-check passedData & Analytics

Install Deepmd Router

skills CLI
$ npx skills add Hello-QM/catgo-LRG --skill deepmd-router -a claude-code

Project install by default; add -g for ~/.claude/skills/.

GitHub CLI
$ gh skill install Hello-QM/catgo-LRG deepmd-router --agent claude-code

Project scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).

Manual copy
$ git clone --depth 1 https://github.com/Hello-QM/catgo-LRG.git skills-src && mkdir -p .claude/skills && cp -r skills-src/server/catgo/workflow/skills/deepmd .claude/skills/deepmd-router && rm -rf skills-src

Use ~/.claude/skills/ instead of .claude/skills for a personal install. The folder must contain SKILL.md.

Claude Code skills documentation · loads skills from .claude/skills/

Facts

Skill name
deepmd-router
GitHub stars
205
Used in
1 other repo
Token cost
~377 tokens
SKILL.md length
145 words
Files
1
Skills in repo
75
Repo updated
First seen
Licence
AGPL-3.0

At a glance

Route DeePMD-kit requests to training or inference sub-skills.

  • Works in 4 steps: Data format — DeePMD training data must… → Model selection — DPA-3 is the… → GPU requirement — training requires GPU.… → …
  • The user requests machine learning potentials
  • SKILL.md covers Routing Table, Shared Policies and Quick Decision Guide
  • Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md

What it does

Deepmd Router is an agent skill from Hello-QM/catgo-LRG. Route DeePMD-kit requests to training or inference sub-skills. Use when the user requests machine learning potentials, DeePMD, DPA-3, DP models, or MLIP training.

Its SKILL.md is about 380 tokens, which your agent loads only when the skill is triggered. It is a single SKILL.md file with no bundled scripts. Compatibility notes: Requires deepmd-kit installed (pip install deepmd-kit). GPU recommended for training.

It sits in Data & Analytics, covering Machine learning. The repository describes itself as: AI-driven workbench for computational materials science — interactive 3D structure viewer, natural-language CatBot assistant, visual DAG workflow engine, HPC job submission… The licence is AGPL-3.0.

When your agent uses it

  • The user requests machine learning potentials
  • Tasks that involve Machine learning

Example prompts

  • “/deepmd-router”

Requirements

  • Python 3
  • Compatibility (from SKILL.md): Requires deepmd-kit installed (pip install deepmd-kit). GPU recommended for training.

Workflow steps

4 steps, taken from the first numbered list in SKILL.md.

  1. Data format — DeePMD training data must be in dpdata format. If user has VASP/QE output, route through ../data/dpdata/SKILL.md first.
  2. Model selection — DPA-3 is the recommended architecture for new projects. Use se_e2_a only for legacy compatibility.
  3. GPU requirement — training requires GPU. Inference can run on CPU but is much faster on GPU.
  4. Validation split — always hold out 10-20% of data for validation. Never train on all data.

What it can do on your machine

Read from SKILL.md and the folder at commit fd6291b. It shows what the files ask for, not the result of running them.

  • Tool permissions

    Pre-approves nothing: there is no allowed-tools line, so your agent's usual permission prompts apply.

    From allowed-tools in the SKILL.md frontmatter.

  • Runs code

    No scripts in the folder and no shell commands in SKILL.md.

    From the folder's file list and the shell code blocks in SKILL.md.

  • Network

    No URLs in SKILL.md.

    From URLs in SKILL.md, links to its own repository left out.

  • Credentials

    Names no API keys, tokens, secrets or passwords.

    From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.

  • Compatibility

    Requires deepmd-kit installed (pip install deepmd-kit). GPU recommended for training.

    From compatibility in the SKILL.md frontmatter.

Context cost

Deepmd Router loads about 377 tokens when it runs. Until then it costs about 44 tokens; SKILL.md has 145 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~44
When it runs · the whole SKILL.md, loaded when a task matches
~377

Estimates: characters ÷ 4, the usual rule of thumb; real counts depend on the model's tokenizer. Scripts and assets cost tokens only if the agent reads them.

Safety

Auto-check passed

The automated check found no risky patterns in SKILL.md.

Automated static check — not a guarantee. Review scripts before installing. It scans the text of SKILL.md for risky patterns (piping downloads into a shell, reading credential files, hidden Unicode, destructive commands); files beside SKILL.md are not scanned.

SKILL.md

The full file from Hello-QM/catgo-LRG at commit fd6291b, republished under its AGPL-3.0 licence (© Hello-QM). 145 words, ~377 tokens.

Download SKILL.mdSave it as .claude/skills/deepmd-router/SKILL.md (or your agent's skills folder).
name
deepmd-router
description
Route DeePMD-kit requests to training or inference sub-skills. Use when the user requests machine learning potentials, DeePMD, DPA-3, DP models, or MLIP training.
compatibility
Requires deepmd-kit installed (pip install deepmd-kit). GPU recommended for training.

DeePMD Router

Route DeePMD-kit requests to the appropriate sub-skill.

Routing Table

User intentRoute to
Train a new DP model (DPA-3, se_e2_a, fine-tune)train/SKILL.md
Run inference, predict energy/forces, evaluate modelinference/SKILL.md
Run MD with a DP model../lammps/deepmd/SKILL.md

Shared Policies

  1. Data format — DeePMD training data must be in dpdata format. If user has VASP/QE output, route through ../data/dpdata/SKILL.md first.
  2. Model selection — DPA-3 is the recommended architecture for new projects. Use se_e2_a only for legacy compatibility.
  3. GPU requirement — training requires GPU. Inference can run on CPU but is much faster on GPU.
  4. Validation split — always hold out 10-20% of data for validation. Never train on all data.

Quick Decision Guide

  • "Train a potential" / "fit a model" / "DPA-3" → train/SKILL.md
  • "Fine-tune" / "transfer learn" → train/SKILL.md (fine-tune section)
  • "Predict" / "evaluate" / "test model" → inference/SKILL.md
  • "Run MD with DP" / "LAMMPS + DeePMD" → ../lammps/deepmd/SKILL.md
  • "Convert data" / "prepare training data" → ../data/dpdata/SKILL.md

© Hello-QM, AGPL-3.0. Rendered from Markdown: HTML in the file is shown as text, images as links, and headings moved down two levels. Raw file

Files

Just SKILL.md in server/catgo/workflow/skills/deepmd of Hello-QM/catgo-LRG.

Open the folder on GitHubat commit fd6291b

Used in 1 other repository

We found 1 copy of this SKILL.md (exact, near-identical or edited) in other folders, from 1 other GitHub owner. This page covers the copy in Hello-QM/catgo-LRG, which our catalogue first saw on October 7, 2026.

Compare with similar skills

Deepmd Router next to the 5 skills that share the most tags, products or categories with it. Stars are the repository's; “used in” counts other GitHub owners with a copy.

Deepmd Router compared with similar skills
SkillStarsUsed inTokensAuto-checkLicenceRepo updated
Deepmd Router this skillHello-QM/catgo-LRG2051 repos~377Automated safety check: PassAGPL-3.0
Scikit LearnzLanqing/codex-claude-academic-skills4.6k17 repos~3.9kAutomated safety check: PassBSD-3-Clause
Senior Data ScientistRaidriar7170/hermes-skilleval1256 repos~1.4kAutomated safety check: PassMIT
Agentic Kaggle WorkflowFrankS-IntelLab/agentic-kaggle-skill188—~4kAutomated safety check: PassMIT
Retention Analysisliangdabiao/claude-data-analysis-ultra-main2901 repos~1.3kAutomated safety check: NotesNone
Geomlitalo-goncalves/geoML109—~4.2kAutomated safety check: PassGPL-3.0

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Categories

Questions about Deepmd Router

What does Deepmd Router do?

Route DeePMD-kit requests to training or inference sub-skills. Deepmd Router is an agent skill from Hello-QM/catgo-LRG. Route DeePMD-kit requests to training or inference sub-skills.

When should I use Deepmd Router?

Deepmd Router fits situations like: the user requests machine learning potentials; tasks that involve Machine learning.

How do I install Deepmd Router in Claude Code?

Run `npx skills add Hello-QM/catgo-LRG --skill deepmd-router -a claude-code`. Or copy the skill folder (server/catgo/workflow/skills/deepmd in Hello-QM/catgo-LRG) into .claude/skills/deepmd-router in your project. Claude Code loads it when a task matches its description.

How do I install Deepmd Router in Codex?

Run `npx skills add Hello-QM/catgo-LRG --skill deepmd-router -a codex`. Or copy the skill folder (server/catgo/workflow/skills/deepmd in Hello-QM/catgo-LRG) into .agents/skills/deepmd-router in your project. Codex loads it when a task matches its description.

Can I use Deepmd Router in Cursor, Gemini CLI or GitHub Copilot?

Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add Hello-QM/catgo-LRG --skill deepmd-router -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/deepmd-router, .gemini/skills/deepmd-router, .github/skills/deepmd-router and .opencode/skills/deepmd-router in your project.

What does Deepmd Router need to run?

SKILL.md names no scripts, command-line tools or credentials: Deepmd Router is instructions for the agent only. Our summary lists: Python 3. Compatibility (from SKILL.md): Requires deepmd-kit installed (pip install deepmd-kit). GPU recommended for training. .

Does Deepmd Router access the network?

SKILL.md contains no URLs. Any network use would come from the scripts or tools the agent runs. This is read from the text; nothing was executed.

Is Deepmd Router safe to install?

Our automated static check of SKILL.md found no risky patterns, such as piping downloads into a shell, reading credential files or hidden Unicode. It is not a guarantee. Review the folder before installing.

What licence does Deepmd Router use?

Deepmd Router is published under the AGPL-3.0 licence (the repository's licence). It allows redistribution, so the full SKILL.md is shown on this page.

How many tokens does Deepmd Router use?

About 377 tokens (SKILL.md is roughly 1.5k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full.

What are the alternatives to Deepmd Router?

Skills that share tags, products or a category with Deepmd Router: Scikit Learn (zLanqing/codex-claude-academic-skills, 4.6k stars), Senior Data Scientist (Raidriar7170/hermes-skilleval, 125 stars), Agentic Kaggle Workflow (FrankS-IntelLab/agentic-kaggle-skill, 188 stars) and Retention Analysis (liangdabiao/claude-data-analysis-ultra-main, 290 stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Deepmd Router?

Hello-QM (a GitHub user) maintains it in Hello-QM/catgo-LRG, which has 205 GitHub stars. The repository holds 75 skills in this directory. The repository was last updated on September 22, 2026.

Source: Hello-QM/catgo-LRG on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.