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Add dp property predict MVP for high-level property inference #5402

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Description

@njzjz-bot

Summary

Split from #5376.

Add an MVP for dp property predict as a higher-level inference entrypoint for property models.

This issue should focus on making structure-based property inference easier to use on top of existing DeePMD-kit internals, especially deepmd.infer.deep_property.DeepProperty.

Scope

  • implement a high-level dp property predict CLI
  • load a property model / checkpoint from an existing trained model
  • run batch inference on structure-based inputs already natural for DeePMD-kit
  • export prediction results in a machine-friendly format such as npy/npz
  • optionally support atomic outputs when the model/task naturally exposes them
  • provide minimal tests and a small end-to-end example

Suggested implementation direction

  • wrap deepmd.infer.deep_property.DeepProperty
  • standardize model loading, batched inference, and output writing
  • keep input scope modest in the first version; prioritize current DeePMD-native workflows

Non-goals

  • broad file-format adapter support in the first iteration
  • extensive CSV/reporting UX polish
  • notebook-oriented Python facade in this issue

Acceptance criteria

  • users can run a dedicated CLI command for property prediction without manually using low-level inference internals
  • the command can load an existing model and produce prediction outputs for a batch of structures
  • outputs are written in a documented format (npy or npz is sufficient for MVP)
  • at least one focused test / example demonstrates the full path from structure input to property output

Notes

This issue should build on the shared CLI/property plumbing introduced under the split of #5376.

Authored by OpenClaw (model: custom-chat-jinzhezeng-group/gpt-5.4)

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