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Pull requests: deepmodeling/deepmd-kit

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Pull requests list

fix(pt): declare the DPA-4 neighbor-list dependency and name it on failure Python
#6037 opened Sep 21, 2026 by iProzd Member Loading…
4
fix(pt): import e3nn lazily so it stays an optional dependency Python
#6036 opened Sep 21, 2026 by iProzd Member Loading…
5
perf(pt_expt): batch the Hessian-vector products on the graph route Docs Python
#6035 opened Sep 21, 2026 by iProzd Member Loading…
11
Refuse spin atoms on pair_style deepmd/kk at init_style LAMMPS
#6033 opened Sep 18, 2026 by shaneraphel Loading…
1
7
feat(pt-expt): add DPA4C-LR model with non-periodic LES/SOG long-rang… Docs Python
#6031 opened Sep 17, 2026 by YuzhiLiu-ai Collaborator Loading…
14
ci: cache generated C++ model fixtures
#6030 opened Sep 16, 2026 by njzjz-bot Contributor Loading…
7
fix(pt-expt): correct aparam reshape in graph mode Python
#6028 opened Sep 15, 2026 by MoseyQAQ Loading…
6
fix(pt): fall back to single-rank .pt2 when the optional with-comm artifact export fails Python
#6027 opened Sep 15, 2026 by Fillianore Loading…
5
ci: cache C++ builds and LAMMPS source
#6026 opened Sep 14, 2026 by njzjz-bot Contributor Loading…
7
feat: run Uni-Mol's pretraining objective on a DPA4 backbone Docs Examples Python
#6025 opened Sep 14, 2026 by iProzd Member Loading…
19
feat(lammps): support device-side model deviation with Kokkos C++ C Docs LAMMPS Python
#6023 opened Sep 14, 2026 by wankiwi Loading…
8
feat: add the Uni-Mol v1 backbone and its self-supervised pretraining Docs Examples Python
#6019 opened Sep 12, 2026 by iProzd Member Loading…
51
fix(lammps): register native-spin host pair style in plugin LAMMPS
#6012 opened Sep 8, 2026 by LOGO127 Contributor • Draft
5
fix(dpmodel): map DPA4 charge-spin conditions to ragged frames Python
#6008 opened Sep 5, 2026 by LOGO127 Contributor Loading…
1
1
fix(dpmodel): handle zero-node DPA4C spin graphs Python
#6007 opened Sep 5, 2026 by LOGO127 Contributor Loading…
1
1
feat(pt): add charge density prediction support Docs Examples new feature Python
#5999 opened Aug 25, 2026 by YuzhiLiu-ai Collaborator Loading…
104
feat(data): support extxyz training and validation datasets Docs new feature Python
#5984 opened Aug 22, 2026 by qchempku2017 Loading…
11
feat(pt): add group_property training for labels defined over multiple frames Docs new feature Python
#5982 opened Aug 20, 2026 by zirenjin Contributor Loading…
23
fix(lammps): expose Kokkos pair style through plugin LAMMPS Python
#5980 opened Aug 19, 2026 by njzjz-bot Contributor • Draft
2
feat(pt): Add Optimized DPA4 Neo inference path using CuTe Docs enhancement new feature Python
#5978 opened Aug 17, 2026 by atulcthakur Loading…
71
docs(skills): add structured DPA4 workflow support Docs P2 Non-blocking DPA4/DPA4C release follow-up. Python
#5961 opened Aug 7, 2026 by SchrodingersCattt Contributor Loading… v3.2.0
40
fix(pt_expt): reuse the stored min_nbor_dist and batch the neighbor statistics bug enhancement new feature Python
#5956 opened Aug 4, 2026 by yckbz Loading… v3.2.0
23
[pre-commit.ci] pre-commit autoupdate
#5955 opened Aug 3, 2026 by pre-commit-ci Bot Loading…
3
feat(lammps): add compact DeePMD evaluation Docs LAMMPS new feature
#5943 opened Jul 31, 2026 by njzjz Member Loading…
26
fix(ops): validate tabulation tensor shapes bug Core OP Python
#5932 opened Jul 30, 2026 by njzjz-bot Contributor Loading…
1
9
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