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[WIP] pd: support dpa3 dynamic shape for pd backend

Python

Status: Open (in progress).

deepmodeling/deepmd-kitnumber 4828

#4828 In deepmodeling/deepmd-kit;

· HydrogenSulfate opened on Jun 30, 2025

feat(pt): add <code>type-coverage</code> option for dp show

Docs

Python

Status: Open (in progress).

deepmodeling/deepmd-kitnumber 4820

#4820 In deepmodeling/deepmd-kit;

· iProzd opened on Jun 25, 2025

perf: optionally use <code>torch_scatter.segment_coo</code> for feature aggregation

Python

Status: Draft (not ready).

deepmodeling/deepmd-kitnumber 4813

#4813 In deepmodeling/deepmd-kit;

· caic99 opened on Jun 20, 2025

update NvNMD training code

Python

Status: Open (in progress).

deepmodeling/deepmd-kitnumber 4800

#4800 In deepmodeling/deepmd-kit;

· jiongwalai opened on Jun 11, 2025

fix(dpmodel/pt/pd/jax): pass trainable to layer &amp; support JAX trainable &amp; support TF tensor fitting trainable

Python

Status: Open (in progress).

deepmodeling/deepmd-kitnumber 4793

#4793 In deepmodeling/deepmd-kit;

· njzjz opened on Jun 10, 2025

feat(pt): add hook to last fitting layer output

Python

Status: Draft (not ready).

deepmodeling/deepmd-kitnumber 4789

#4789 In deepmodeling/deepmd-kit;

· iProzd opened on Jun 8, 2025

feat: JAX training

Python

Status: Draft (not ready).

deepmodeling/deepmd-kitnumber 4782

#4782 In deepmodeling/deepmd-kit;

· njzjz opened on Jun 5, 2025

 ·  

v3.2.0

feat(pt): add plugin for data modifier

Python

Status: Open (in progress).

deepmodeling/deepmd-kitnumber 4661

#4661 In deepmodeling/deepmd-kit;

· ChiahsinChu opened on Mar 20, 2025

chore(array-api): implement scatter_sum

Python

Status: Draft (not ready).

deepmodeling/deepmd-kitnumber 4654

#4654 In deepmodeling/deepmd-kit;

· njzjz opened on Mar 13, 2025

feat(pt): Support denoise model

Examples

Python

Status: Draft (not ready).

deepmodeling/deepmd-kitnumber 4644

#4644 In deepmodeling/deepmd-kit;

· Chengqian-Zhang opened on Mar 10, 2025

feat(pt): Support atomic property fitting

Python

Status: Draft (not ready).

deepmodeling/deepmd-kitnumber 4642

#4642 In deepmodeling/deepmd-kit;

· Chengqian-Zhang opened on Mar 7, 2025

feat(pt): support spin virial

C

C++

Python

Status: Draft (not ready).

deepmodeling/deepmd-kitnumber 4545

#4545 In deepmodeling/deepmd-kit;

· iProzd opened on Jan 10, 2025