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Pull requests: deepmodeling/deepmd-kit

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Pull requests list

[WIP] pd: support pd dynamic shape Python
#4828 opened Jun 30, 2025 by HydrogenSulfate Loading…
2 tasks
2
pd: add flag CINN_ALLOW_DYNAMIC_SHAPE for better performance with dynamic shape Docs Python
#4826 opened Jun 30, 2025 by HydrogenSulfate Loading…
8
feat(pt): add type-coverage option for dp show Docs Python
#4820 opened Jun 25, 2025 by iProzd Loading…
4
chore: bump LAMMPS to stable_29Aug2024_update2 Docs
#4815 opened Jun 21, 2025 by njzjz • Draft
3
chore: bump LAMMPS to stable_29Aug2024_update3 Docs
#4814 opened Jun 21, 2025 by njzjz • Draft
5
perf: optionally use torch_scatter.segment_coo for feature aggregation Python
#4813 opened Jun 20, 2025 by caic99 • Draft
5
update NvNMD training code Python
#4800 opened Jun 11, 2025 by jiongwalai Loading…
13
fix(dpmodel/pt/pd/jax): pass trainable to layer & support JAX trainable & support TF tensor fitting trainable Python
#4793 opened Jun 10, 2025 by njzjz Loading…
13
feat(pt): add hook to last fitting layer output Python
#4789 opened Jun 8, 2025 by iProzd • Draft
3
feat: JAX training Python
#4782 opened Jun 5, 2025 by njzjz • Draft v3.2.0
1
12
feat(pt): add plugin for data modifier Python
#4661 opened Mar 20, 2025 by ChiahsinChu Loading…
1
11
chore(array-api): implement scatter_sum Python
#4654 opened Mar 13, 2025 by njzjz • Draft
3
feat(pt): Support denoise model Examples Python
#4644 opened Mar 10, 2025 by Chengqian-Zhang • Draft
1
62
feat(pt): Support atomic property fitting Python
#4642 opened Mar 7, 2025 by Chengqian-Zhang • Draft
2
feat(pt): support spin virial C++ C Python
#4545 opened Jan 10, 2025 by iProzd • Draft
1
14
(fix) Make bias statistics complete for all elements Python
#4496 opened Dec 23, 2024 by SumGuo-88 Loading…
1
208
add cosine restart learning rate new feature Python
#2953 opened Oct 27, 2023 by hellozhaoming Loading…
8
Adapt DeePMD in Ascend platform (NPU) C++ LAMMPS new feature OP Python
#2371 opened Mar 7, 2023 by ZhengdQin Loading…
1
Adds Ascend platform adaptation code C++ LAMMPS new feature OP Python
#1881 opened Aug 30, 2022 by ZhengdQin Loading…
96
Add Paddle support to Deepmd and Lammps new feature
#1699 opened May 10, 2022 by lidanqing-intel Loading…
1
9
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