All pull requests

Pull requests

• 2259 :: Keep parallel inference inputs synchronized after metadata changes

  cla signed
  #2260·ricardoleal20 opened Oct 25, 2026·

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• Perform elemental references addition in f64

  cla signedenhancementminor
  #2258·frostedoyster opened Oct 25, 2026Contributor·

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• docs: fix broken section links in UMA changelog

  #2257·idleicefire opened Oct 24, 2026·

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• Accept spin_multiplicity for the spin multiplicity

  cla signeddocumentationenhancementminor
  #2255·frostedoyster opened Oct 24, 2026Contributor·

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• Sweep uma-s-1p2p1 and its fine-tunes in CI

  cla signedpatchtest
  #2249·misko opened Oct 22, 2026Contributor·

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• pip: bump nvalchemi-toolkit-ops from 0.4.1 to 0.5.0

  cla signed
  #2246·dependabot[bot] opened Oct 21, 2026Bot·

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• pip: bump numpy from 2.4.6 to 2.5.4

  cla signed
  #2240·dependabot[bot] opened Oct 14, 2026Bot·

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• pip: bump torch from 2.13.0 to 2.14.1

  cla signeddependenciesminorpython
  #2232·dependabot[bot] opened Oct 7, 2026Bot·

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• pip: bump lmdb from 1.6.2 to 3.0.0

  cla signeddependenciesmajorpython
  #2231·dependabot[bot] opened Oct 7, 2026Bot·

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• pip: bump numba from 0.67.0 to 0.68.0

  cla signeddependenciesminorpython
  #2230·dependabot[bot] opened Oct 7, 2026Bot·

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• pip: bump ray from 2.58.0 to 2.59.0

  cla signeddependenciesminorpython
  #2229·dependabot[bot] opened Oct 7, 2026Bot·

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• Record the git branch and package version in job metadata

  cla signedenhancementminor
  #2225·lbluque opened Oct 6, 2026Contributor·

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• Add hardware-aware LAMMPS preflight benchmarks

  cla signedenhancementminor
  #2222·leifjacobson opened Oct 2, 2026Contributor·

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• 2/2 Fix EdgeDegreeEmbedding keeping a node copy per checkpoint chunk

  bugcla signedpatch
  #2219·rssrwn opened Oct 1, 2026·2/2·

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• pip: bump jupyter-book from 2.1.6 to 2.1.7

  cla signeddependenciespatchpython
  #2214·dependabot[bot] opened Sep 30, 2026Bot·

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• pip: bump pymatgen from v2026.5.4 to 2026.9.24

  cla signeddependenciespython
  #2213·dependabot[bot] opened Sep 30, 2026Bot·

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• Avoid recomputing the model on every property read in FormationEnergyCalculator

  cla signedenhancementpatch
  #2212·u7k4rs6 opened Sep 30, 2026·

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• 1/2 Add unit tests for UMA nn layers: EdgeDegreeEmbedding, MOLE, normalization, activations

  cla signedno-optest
  #2211·rssrwn opened Sep 29, 2026·1/2·

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• [perf] UMA-S conserving training on 8x B200: 152.2 ms to 144.6 ms per step, from the host synchronizations in the loss

  cla signed
  #2203·TarzanZhao opened Sep 18, 2026·

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• pip: bump scikit-learn from 1.9.0 to 1.9.1

  cla signeddependenciespatchpythonstale
  #2200·dependabot[bot] opened Sep 16, 2026Bot·

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• [perf] UMA-S conserving training on 8x B200: 151.2 ms to 127.9 ms per step, mostly from host synchronizations in the loss

  cla signedstale
  #2193·TarzanZhao opened Sep 10, 2026·

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• pip: bump numpy from 2.4.6 to 2.5.3

  cla signeddependenciesminorpython
  #2191·dependabot[bot] opened Sep 9, 2026Bot·

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• Add umas_flash execution mode: fused Triton backbone for UMA inference

  cla signedenhancementminorstale
  #2185·ArcelliEmanuele opened Sep 2, 2026·

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• Add support to Intel GPUs on Aurora

  cla signedenhancementminorstale
  #2182·abagusetty opened Aug 27, 2026·

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• pip: update protobuf requirement from <7 to <8

  cla signeddependenciespythonstale
  #2179·dependabot[bot] opened Aug 26, 2026Bot·

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