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Pull requests: deepmodeling/deepmd-kit

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Pull requests list

docs: fix stale documentation links and placeholders Docs
#5700 opened Jul 1, 2026 by wanghan-iapcm Collaborator Loading…
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1
docs(examples): build and document graph.pb generation in infer_water build Docs Examples
#5699 opened Jul 1, 2026 by wanghan-iapcm Collaborator Loading…
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1
fix(examples): use runnable local data paths in zinc_protein example bug Examples Python
#5698 opened Jul 1, 2026 by wanghan-iapcm Collaborator Loading…
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fix(dev): fix devcontainer LAMMPS pytest wrapper paths bug
#5697 opened Jul 1, 2026 by wanghan-iapcm Collaborator Loading…
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fix(data): preserve global dipole/polarizability in raw_to_set.sh bug Python
#5696 opened Jul 1, 2026 by wanghan-iapcm Collaborator • Queued
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fix(jax): restore jax2tf savedmodel export Python
#5613 opened Jun 30, 2026 by njzjz Member • Queued
15
fix(pt): select device before loading torch ops C++
#5612 opened Jun 30, 2026 by njzjz-bot Contributor • Draft
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3
[pre-commit.ci] pre-commit autoupdate
#5609 opened Jun 29, 2026 by pre-commit-ci Bot Loading…
1
feat(jax): freeze models with hessian output new feature Python
#5608 opened Jun 29, 2026 by njzjz Member • Draft
5
fix(jax): add hessian energy loss enhancement Python
#5607 opened Jun 29, 2026 by njzjz Member • Draft
4
feat(pt_expt): graph-native dpa1 — .pt2 export + compiled training + C++ inference single & multi-rank (NeighborGraph PR-B) bug C++ enhancement LAMMPS new feature Python
#5604 opened Jun 29, 2026 by wanghan-iapcm Collaborator Loading…
32
feat(dpmodel): add backend-independent trainer abstraction enhancement new feature Python
#5603 opened Jun 28, 2026 by njzjz Member Loading…
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45
refactor(dpmodel/dpa4) enhancement Examples Python
#5599 opened Jun 28, 2026 by OutisLi Collaborator • Queued
24
feat(dpmodel): add NEP descriptor Docs Examples Python
#5597 opened Jun 27, 2026 by OutisLi Collaborator Loading…
12
feat(core): batch prod env mat over frames Core CUDA enhancement new feature OP ROCM
#5582 opened Jun 24, 2026 by njzjz Member Loading…
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add DPA-ADAPT toolkit for downstream property adaptation Docs Examples new feature Python
#5572 opened Jun 22, 2026 by zhaiwenxi Loading…
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fix: cover mixed types in stat sampling bug Python
#5569 opened Jun 21, 2026 by njzjz-bot Contributor • Draft
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feat(pt/dpa4): add nvalchemi-toolkit warpper for DPA4 Docs enhancement Examples new feature Python
#5568 opened Jun 21, 2026 by OutisLi Collaborator Loading…
25
feat(data): add dpdata format conversion enhancement new feature Python
#5565 opened Jun 20, 2026 by njzjz Member • Draft
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test(pt_expt): apply fast AOTI config to generated pt2 fixtures Python
#5546 opened Jun 16, 2026 by njzjz-bot Contributor • Draft
1
fix(lmp): link torch for builtin shared builds build LAMMPS
#5535 opened Jun 14, 2026 by njzjz-bot Contributor • Draft
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refactor(api_cc): load backends as plugins C++ C Docs enhancement
#5531 opened Jun 13, 2026 by njzjz Member • Queued
17
feat(pt): add hard-coded aparam output gate for fitting nets Examples new feature Python
#5495 opened Jun 4, 2026 by Jingbei-Bai Loading…
25
fix(pd): add default chg spin parameter enhancement Python
#5469 opened May 27, 2026 by HydrogenSulfate Collaborator Loading…
14
Feat(pt): Support Density fitting Examples new feature Python
#5465 opened May 27, 2026 by YuzhiLiu-ai Loading…
28
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