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Pull requests: deepmodeling/deepmd-kit

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Pull requests list

build(deps): bump actions/upload-pages-artifact from 4 to 5 build dependencies Pull requests that update a dependency file github_actions Pull requests that update GitHub Actions code
#5398 opened Apr 16, 2026 by dependabot bot • Queued
1
feat(pt_expt): multi-task training support new feature Python
#5397 opened Apr 15, 2026 by wanghan-iapcm Collaborator Loading…
6 tasks
42
test(pt_expt): speed up AOTInductor UT compilation and fix hardcoded device Python
#5394 opened Apr 12, 2026 by wanghan-iapcm Collaborator Loading…
1 task
4
perf(pt_expt): use inductor+dynamic for torch.compile training enhancement Python
#5393 opened Apr 11, 2026 by wanghan-iapcm Collaborator • Draft
4 of 5 tasks
13
Fix #5360: Deprecate the GROMACS patch Gromacs
#5365 opened Apr 2, 2026 by JiwaniZakir Loading…
1
5
build(deps-dev): bump torch from 2.10.0 to 2.11.0 build dependencies Pull requests that update a dependency file Python
#5364 opened Apr 2, 2026 by dependabot bot Loading…
1
feat(pt/dpmodel): add use_default_pf Docs new feature Python
#5356 opened Mar 30, 2026 by iProzd Member Loading…
14
feat(pt/dpmodel): add sequential_update for dpa3 new feature Python
#5355 opened Mar 30, 2026 by iProzd Member Loading…
14
feat: Implement XAS (X-ray Absorption Spectroscopy) model, fitting, l… Examples new feature Python
#5337 opened Mar 24, 2026 by anyangml Collaborator • Draft
12
feat(pt): add full validation new feature Python
#5336 opened Mar 24, 2026 by OutisLi Collaborator • Draft
38
Fix: Square atom_norm in non-Huber energy and virial loss calculations. bug Python
#5332 opened Mar 23, 2026 by anyangml Collaborator • Draft
7
feat(show): add serialization-tree via DeepEval.serialize new feature Python
#5316 opened Mar 16, 2026 by njzjz-bot Contributor Loading…
@njzjz
20
build(deps-dev): bump tensorflow from 2.18.0 to 2.21.0 breaking change Breaking changes that should notify users. dependencies Pull requests that update a dependency file Python
#5303 opened Mar 10, 2026 by dependabot bot Loading…
1
feat: support aparam derivative in ener loss new feature Python
#5285 opened Mar 4, 2026 by anyangml Collaborator • Draft
12
set default timeout for pytest enhancement
#5265 opened Feb 25, 2026 by link89 Contributor Loading…
3
feat(train): support opt-in $ref loading Docs new feature Python
#5264 opened Feb 24, 2026 by njzjz-bot Contributor Loading…
25
refactor(pt): refactor training code enhancement Python
#5216 opened Feb 11, 2026 by iProzd Member • Draft
1
53
feat(pt): make se_a and dpa1 compatible with torch.export new feature Python
#5193 opened Feb 5, 2026 by wanghan-iapcm Collaborator • Draft
13
tests(pt): use openreg in UT new feature Python
#5188 opened Feb 2, 2026 by njzjz Member • Draft
46
fix(pt/pd): fix incompatibility between AutoBatchSize and eval hooks bug Python
#5181 opened Jan 29, 2026 by njzjz Member • Draft
1
10
feat(pt): DPLR in PyTorch backend Docs new feature Python
#5138 opened Jan 8, 2026 by ChiahsinChu Contributor Loading…
2
57
build(deps-dev): bump jax from 0.5.0 to 0.6.2 dependencies Pull requests that update a dependency file Python
#5102 opened Dec 15, 2025 by dependabot bot • Draft
3
[AutoParallel] Test paral auto view fix Examples Python
#5022 opened Oct 24, 2025 by waliwali777 Loading…
11
[Auto-Paralllel] tmp fix shard_dataloader Python
#4974 opened Sep 12, 2025 by Xing-lil Loading…
8
[WIP] Add fix cboamd for cavity Born-Oppenheimer MD LAMMPS
#4972 opened Sep 11, 2025 by Yi-FanLi Collaborator • Draft
16
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