All pull requests

Pull requests

• Multiple hidden layers for generic feature embedding.

  #1748·williamdavie opened Sep 30, 2026Contributor·

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• make it possible to turn off amsgrad

  #1743·ThomasWarford opened Sep 25, 2026Contributor·

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  1

• Add the kernel backend contract and the plain-torch reference backend

  reforgestacked
  #1740·aacostadiaz opened Sep 22, 2026Collaborator·

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  1

  9

• Derive the reduced Clebsch-Gordan basis without e3nn or cuequivariance

  reforge
  #1739·aacostadiaz opened Sep 22, 2026Collaborator·

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  1

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• Add the configuration type, the key convention and the units module

  reforge
  #1738·aacostadiaz opened Sep 22, 2026Collaborator·

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  1

  13

• Add field-derived dipole and polarizability calculations for PolarMACE

  #1737·SunZichen-2004 opened Sep 20, 2026Contributor·4 tasks·

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• Split mixed PolarMace auto batches onto both electrostatic arms

  #1736·shaneraphel opened Sep 19, 2026·3 tasks·

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• core-2

  reforge
  #1733·arnon-1 opened Sep 17, 2026Collaborator·

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  28

• Add radial bases, embeddings and native spherical harmonics to mace-torch (ARCH-1)

  reforge
  #1732·steffen-wedig opened Sep 17, 2026Collaborator·

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  9

• Apply energy unit conversion to calculator Hessians

  #1725·hhjhhaaa opened Sep 12, 2026·

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  4

• Add typed model outputs and a declarative observable specification

  reforge
  #1723·aacostadiaz opened Sep 11, 2026Collaborator·

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  1

  9

• [codex] Fix gated block TorchScript export

  #1717·LOGO127 opened Sep 8, 2026Contributor·

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• Per-element (per-atom) force loss weighting

  #1542·mikyneb opened Aug 1, 2026·

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• Allow imports to work if openequivariance is installed but not running on supported GPU

  #1534·bernstei opened Jul 22, 2026Collaborator·

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  4

• Add optional NVIDIA electrostatics backend for PolarMACE

  #1524·ilyes319 opened Jul 15, 2026Contributor·

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  4

• Fixes bug preventing early stopping from exiting the training loop when not running in distributed mode (issue 1384)

  #1502·richardtomsett opened Jun 16, 2026·

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• accelerate stress calculations

  #1498·arnon-1 opened Jun 10, 2026Collaborator·

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• cast torch.Tensor to int type

  #1497·link89 opened Jun 10, 2026·

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• Small fix for stress calculation in low-dimensional systems

  #1496·dbidoggia opened Jun 9, 2026·

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  3

• suppress TorchScript instance-level annotation warning

  #1484·chengjilai opened May 25, 2026·

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  7

• fix linting

  #1459·alinelena opened May 1, 2026Contributor·

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• Update docs for lora finetuning

  #1454·hyjwpk opened Apr 28, 2026·

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• Add LoRA finetuning support for Contraction

  #1453·hyjwpk opened Apr 28, 2026·

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  6

• Fix forces acting on constrained atoms when reading from extxyz database

  #1448·yantar92 opened Apr 23, 2026·

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• Add PolarMACE support to MaceTorchSimModel

  #1441·orionarcher opened Apr 14, 2026·6 of 7 tasks·

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  2