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deepmd-finetune-dpa3

95 / 100 · Low risk

Fine to try.

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

Fine-tune a DPA3 model in DeePMD-kit using the PyTorch backend. Use when the user wants to adapt a pre-trained DPA3 model to a new downstream dataset. Supports fine-tuning from a self-trained DPA3 model (.pt checkpoint), from a multi-task pre-trained model, or from a built-in pretrained model downloaded via `dp pretrained download` (e.g., DPA-3.1-3M, DPA-3.2-5M, DPA-3.3-1M). Covers single-task and multi-task fine-tuning workflows.

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-finetune-dpa3' ] || [ -L ~/.agents/skills/'deepmd-finetune-dpa3' ]; then echo 'A skill folder named deepmd-finetune-dpa3 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 "$d" checkout --quiet '8ab83a96292bb4d13ba7e4a2b015015f0332e8cc' -- 'machine-learning-potentials/deepmd-finetune-dpa3' && mkdir -p ~/.agents/skills && cp -R "$d"/'machine-learning-potentials/deepmd-finetune-dpa3' ~/.agents/skills/'deepmd-finetune-dpa3' && 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-finetune-dpa3' ~/.claude/skills/'deepmd-finetune-dpa3' (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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