All pull requests

Pull requests

• Drop Python 3.10, require torch 2.5 and add Python 3.14 on mace-reforge

  reforge
  #1760·aacostadiaz opened Oct 14, 2026Collaborator·

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• Drop Python 3.10, require torch 2.5 and add Python 3.14

  #1759·aacostadiaz opened Oct 14, 2026Collaborator·

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• Add opt-in PolarMACE polarizability from dipole and energy derivatives

  #1755·SunZichen-2004 opened Oct 9, 2026Contributor·4 of 5 tasks·

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• Avoid retraining completed checkpoint epochs on restart

  #1753·kumar-miskin opened Oct 7, 2026·

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• implement noise-resilient training (NRT)

  #1752·terry-berry067 opened Oct 6, 2026·

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• Register multipolar MACELES readouts in optimizer param groups

  #1750·djkim-kr opened Oct 5, 2026Contributor·

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

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

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

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

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• 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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• Apply energy unit conversion to calculator Hessians

  #1725·hhjhhaaa opened Sep 12, 2026·

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  4

• [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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• Add optional NVIDIA electrostatics backend for PolarMACE

  #1524·ilyes319 opened Jul 15, 2026Contributor·

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• 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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• 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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• suppress TorchScript instance-level annotation warning

  #1484·chengjilai opened May 25, 2026·

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

  #1448·yantar92 opened Apr 23, 2026·

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