All pull requests

Pull requests

• fix(cli): fit downstream bias without reapplying checkpoint presets

  Python
  #6074·anyangml opened Oct 13, 2026Collaborator·

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  20

• fix(dpmodel): make se_e2_a type_one_side=False traceable

  Python
  #6073·stanleys12 opened Oct 12, 2026·

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  1

  1

• perf(pt): fused Triton zonal scatter for the GIE head (DP_GIE_SCATTER_INFER)

  Python
  #6072·long-yi-2019 opened Oct 11, 2026·

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  6

• perf(pt): banded Wigner-D storage for the fused inference consumers

  Python
  #6071·long-yi-2019 opened Oct 10, 2026·

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  7

• perf(pt): assemble Wigner-D behind a custom op; inverse rotation as a view

  Python
  #6070·long-yi-2019 opened Oct 10, 2026·

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  3

• feat(train): checkpointable data-source progress for restart

  Python
  #6069·OutisLi-Bot opened Oct 9, 2026Contributor·5 tasks done·

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  4

• feat(dpmodel): introduce NeighborContract for graph-native preprocessing

  Python
  #6068·OutisLi-Bot opened Oct 9, 2026Contributor·

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  1

  19

• feat(pt_expt): add TorchProfilerObserver for profiler lifecycle

  Python
  #6067·OutisLi-Bot opened Oct 9, 2026Contributor·

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  20

• feat(pt_expt): add rank-aware TensorBoard training observer

  Python
  #6066·OutisLi-Bot opened Oct 9, 2026Contributor·

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  12

• feat(train): shared MetricAccumulator for disp_avg intervals

  Python
  #6065·OutisLi-Bot opened Oct 9, 2026Contributor·

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  5

• feat(pt_expt): honor training.save_dir via TorchCheckpointManager

  Python
  #6064·OutisLi-Bot opened Oct 9, 2026Contributor·3 tasks done·

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  1

  11

• feat(pt_expt): foreach EMA shadow updates

  Python
  #6063·OutisLi-Bot opened Oct 9, 2026Contributor·1 task done·

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  1

  5

• fix(train): gate every checkpoint publish with NonFiniteGradGuard

  Python
  #6061·OutisLi-Bot opened Oct 9, 2026Contributor·4 tasks done·

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  1

  16

• perf(pt): fuse the mixing-stack per-layer backward chain (opt-in)

  Python
  #6060·long-yi-2019 opened Oct 8, 2026·

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  5

• chore(deps): bump pypa/cibuildwheel from 4.2 to 4.3

  dependenciesgithub_actions
  #6059·dependabot[bot] opened Oct 8, 2026Bot·

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  1

• perf(pt): reuse SO2 residual workspace during inference

  Python
  #6058·macqueen09 opened Oct 7, 2026·3 of 6 tasks·

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  2

• perf(pt): fuse rotate+mix backward segment reduction (DP_ROT_MIX_BWD_FUSED_INFER)

  Python
  #6057·long-yi-2019 opened Oct 7, 2026·

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  17

• perf(pt): pass is_inference to compile_fx_inner for compiled eval graphs

  Python
  #6056·long-yi-2019 opened Oct 7, 2026·

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  5

• test(ipi): check socket energy force and virial parity

  Docsi-PIPython
  #6055·Zhang-pchao opened Oct 6, 2026·

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  10

• fix(lammps): register built-in KOKKOS styles

  LAMMPS
  #6054·Zhang-pchao opened Oct 6, 2026·

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  1

• fix(ipi): validate initialization and atom-count framing

  Docsi-PI
  #6053·Zhang-pchao opened Oct 6, 2026·

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  3

• fix(pt): omit absent charge-spin inputs for legacy scripted models

  Python
  #6052·Zhang-pchao opened Oct 6, 2026·

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  2

• fix(build): honor disabled TensorFlow for native interfaces

  Python
  #6051·Zhang-pchao opened Oct 6, 2026·

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  2

• docs(pt): sync DPA4 compile compatibility docs

  DocsPython
  #6046·jasperdingg opened Oct 5, 2026·

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  1

  1

• feat(bridging): analytical short-range bridging for DPA4 and DPA4C

  DocsExamplesLAMMPSOPPython
  #6045·OutisLi opened Oct 5, 2026Collaborator·

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  35