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deepmd-train

95 / 100 · Low risk

Fine to try.

By jinzhezenggroup/computational-chemistry-agent-skills (GitHub) · other · 157 stars · scanned at commit 8ab83a9

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.

Works with any agent that supports SKILL.md skills.

What this skill can do

Install

Paste this into your terminal. It downloads exactly the version we scanned, not whatever is newest.

if [ -e ~/.agents/skills/'deepmd-train' ] || [ -L ~/.agents/skills/'deepmd-train' ]; then echo 'A skill folder named deepmd-train already exists — not replacing it' >&2; false; else d=$(mktemp -d) && git clone --quiet --filter=blob:none --no-checkout 'https://github.com/jinzhezenggroup/computational-chemistry-agent-skills' "$d" && git -C "$d" checkout --quiet '8ab83a96292bb4d13ba7e4a2b015015f0332e8cc' -- 'machine-learning-potentials/deepmd-train' && mkdir -p ~/.agents/skills && cp -R "$d"/'machine-learning-potentials/deepmd-train' ~/.agents/skills/'deepmd-train' && rm -rf "$d"; fi

Codex reads ~/.agents/skills directly. For Claude Code, Cursor, Copilot, Gemini CLI, Antigravity or OpenCode, also link it. For Claude Code: ln -s ~/.agents/skills/'deepmd-train' ~/.claude/skills/'deepmd-train' (other agents: ~/.cursor/skills, ~/.copilot/skills, ~/.gemini/skills, ~/.gemini/config/skills, ~/.config/opencode/skills). Or install through the finder skill, which does both.

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