hello-qm/catgo-lrg/deepmd

Claude Code and agent skill by hello-qm/catgo-lrg

Trust tier 2
  • community
LLM review pending
Source check pending

Checking that the SKILL.md file is still in the repository.

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.

Install

npx vskill@latest install hello-qm/catgo-lrg/deepmd

SKILL.md

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

Security

  • Security scanPassed, 100 of 100Pattern checks on the skill's files.
  • Model reviewNot runA model review is scheduled for the next rescan.

See the full security report

Quality evaluation

  • Task evaluationNot runNo evaluation yet. Run one in Skill Studio.

See evaluation results

Source

Popularity

Repository stars
198
Repository forks
23
7-day trend score
26

Stars and forks are for the whole GitHub repository, not this skill alone. Not refreshed yet.

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