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chore: add DPA-3.3-1M (deepmodeling#5489)
<!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit * **New Features** * Added DPA-3.3-1M as a built-in pretrained model available for automatic download and use in inference and fine-tuning workflows. * **Documentation** * Updated docs and skill guides to list DPA-3.3-1M among available pretrained models. * Added guidance and a download command example for obtaining and using DPA-3.3-1M in inference and fine-tuning. <!-- end of auto-generated comment: release notes by coderabbit.ai --> --------- Signed-off-by: Anyang Peng <137014849+anyangml@users.noreply.github.com> Co-authored-by: Copilot Autofix powered by AI <175728472+Copilot@users.noreply.github.com>
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deepmd/pretrained/registry.py

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MODEL_REGISTRY: dict[str, dict[str, Any]] = {
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"DPA-3.3-1M": {
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"urls": [
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"https://huggingface.co/deepmodelingcommunity/DPA-3.3-1M/resolve/main/DPA-3.3-1M.pt?download=true",
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"https://hf-mirror.com/deepmodelingcommunity/DPA-3.3-1M/resolve/main/DPA-3.3-1M.pt?download=true",
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"https://modelscope.cn/models/DeepModelingCommunity/DPA-3.3-1M/resolve/master/DPA-3.3-1M.pt",
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],
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"filename": "DPA-3.3-1M.pt",
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"sha256": "36fe440c111108d60cda54aa7d3fccac743794de25abef4d49564b9fb896a55b",
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},
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"DPA-3.2-5M": {
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"urls": [
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"https://huggingface.co/deepmodelingcommunity/DPA-3.2-5M/resolve/main/DPA-3.2-5M.pt?download=true",

doc/model/pretrained.md

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Examples in this release include:
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- `DPA-3.3-1M`
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- `DPA-3.2-5M`
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- `DPA-3.1-3M`
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- `DPA3-Omol-Large`

skills/deepmd-finetune-dpa3/SKILL.md

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---
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name: deepmd-finetune-dpa3
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description: 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). Covers single-task and multi-task fine-tuning workflows.
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description: 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.
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compatibility: Requires deepmd-kit with PyTorch backend installed. GPU strongly recommended.
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license: LGPL-3.0-or-later
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metadata:
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1. Fine-tuning from a self-trained single-task DPA3 model
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1. Fine-tuning from a multi-task pre-trained DPA3 model
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1. Fine-tuning from a built-in pretrained model (e.g., DPA-3.1-3M, DPA-3.2-5M) downloaded via `dp pretrained download`
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1. Fine-tuning from a built-in pretrained model (e.g., DPA-3.1-3M, DPA-3.2-5M, DPA-3.3-1M) downloaded via `dp pretrained download`
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## Quick Start
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1. Determine the fine-tuning scenario:
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- Does the user have a self-trained `.pt` model?
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- Does the user want to use a built-in pretrained model (DPA-3.1-3M, DPA-3.2-5M, etc.)?
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- Does the user want to use a built-in pretrained model (DPA-3.1-3M, DPA-3.2-5M, DPA-3.3-1M, etc.)?
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- Is the pre-trained model single-task or multi-task?
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1. If using a built-in pretrained model, download it first with `dp pretrained download`.
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1. Collect the downstream training data paths and element types.
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Currently available models include:
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- `DPA-3.3-1M` — 1M parameter DPA3 pretrained model
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- `DPA-3.2-5M` — latest large-scale pretrained model
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- `DPA-3.1-3M` — 3M parameter DPA3 pretrained model
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- `DPA3-Omol-Large` — large organic molecule model

skills/deepmd-python-inference/SKILL.md

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dp = DeepPot("DPA-3.2-5M")
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```
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Built-in pretrained model names include `DPA-3.2-5M`, `DPA-3.1-3M`, `DPA3-Omol-Large`, etc. DeePMD-kit will automatically download and cache the model on first use.
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Built-in pretrained model names include `DPA-3.3-1M`, `DPA-3.2-5M`, `DPA-3.1-3M`, `DPA3-Omol-Large`, etc. DeePMD-kit will automatically download and cache the model on first use.
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### Predict Energy, Forces, and Virial
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To download pretrained models explicitly:
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```bash
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dp pretrained download DPA-3.3-1M
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dp pretrained download DPA-3.2-5M
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dp pretrained download DPA-3.1-3M
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dp pretrained download DPA-3.2-5M --cache-dir ./models

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