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Pull requests: deepmodeling/deepmd-kit

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Pull requests list

feat(pt/dpa4): add SO3 readout and small bug fix bug Examples new feature Python
#5556 opened Jun 19, 2026 by OutisLi Collaborator Loading…
4
feat(dpmodel): complete DPA4/SeZM SO3 grid projection (mirror current pt) enhancement new feature Python
#5555 opened Jun 18, 2026 by wanghan-iapcm Collaborator Loading…
10
feat(tf): support training stat_file new feature Python
#5551 opened Jun 17, 2026 by njzjz-bot Contributor Loading…
1
10
feat(pt): support shared_dict in linear energy model new feature Python
#5550 opened Jun 17, 2026 by njzjz-bot Contributor Loading…
1
4
fix(finetune): warn on descriptor config mismatches bug enhancement Python
#5549 opened Jun 17, 2026 by njzjz-bot Contributor Loading…
1
4
feat(pt): support shared_dict in linear energy model new feature Python
#5548 opened Jun 17, 2026 by njzjz-bot Contributor Loading…
1
8
test(pt_expt): apply fast AOTI config to generated pt2 fixtures Python
#5546 opened Jun 16, 2026 by njzjz-bot Contributor • Draft
1
test(api): add universal DeepPot C API coverage C++ C enhancement Python
#5538 opened Jun 15, 2026 by njzjz-bot Contributor Loading…
1
2
fix(pt): enable second-order autograd for tabulate descriptors enhancement OP Python
#5537 opened Jun 15, 2026 by njzjz Member Loading…
1
5
fix(lmp): link torch for builtin shared builds build LAMMPS
#5535 opened Jun 14, 2026 by njzjz-bot Contributor Loading…
1
2
fix(jax): stabilize repflow dynamic selection export enhancement Python
#5533 opened Jun 14, 2026 by njzjz Member Loading…
8
refactor(api_cc): load backends as plugins C++ C Docs enhancement
#5531 opened Jun 13, 2026 by njzjz Member Loading…
8
feat(lmp): provide dE/dfparam to LAMMPS via finite differences C++ C Docs enhancement LAMMPS new feature
#5498 opened Jun 6, 2026 by Lily200202 Loading…
7 tasks done
26
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
feat(pt): add atomic charge population fitting and model Docs Examples new feature Python
#5494 opened Jun 4, 2026 by chrisahart Loading…
49
fix(train): allow zero-step training with bias adjustment bug Python
#5477 opened May 30, 2026 by njzjz-bot Contributor Loading…
1
20
fix(pd): add default chg spin parameter enhancement Python
#5469 opened May 27, 2026 by HydrogenSulfate Collaborator Loading…
12
Feat(pt): Support Density fitting Examples new feature Python
#5465 opened May 27, 2026 by YuzhiLiu-ai Loading…
28
feat(pt): support mixed-nloc LMDB batching Docs new feature Python
#5439 opened May 9, 2026 by littlepeachs Collaborator Loading…
34
test(consistent): avoid collecting guaranteed backend skips Python
#5425 opened Apr 27, 2026 by njzjz-bot Contributor Loading…
1
4
test(pt_expt): speed up AOTInductor UT compilation and fix hardcoded device Python
#5394 opened Apr 12, 2026 by wanghan-iapcm Collaborator • Draft
1 task
6
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…
2
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(show): add serialization-tree via DeepEval.serialize new feature Python
#5316 opened Mar 16, 2026 by njzjz-bot Contributor • Draft
@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
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