All pull requests

Pull requests

• Correct NVT and NVE ensemble for fixed atoms.

  #566·TobiasDijkhuis opened Oct 8, 2026Contributor·

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  9

• Little model improvements here and there.

  #565·Chronum94 opened Sep 11, 2026Collaborator·

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  19

• Add custom mass dynamics

  #564·TobiasDijkhuis opened Jul 6, 2026Contributor·

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  5

• [pre-commit.ci] pre-commit autoupdate

  #562·pre-commit-ci[bot] opened Jun 1, 2026Bot·

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  1

• fix(uq): make uncertainty units & estimator consistent across apax

  #561·PythonFZ opened Jun 1, 2026Contributor·

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  2

• WIP: MACE foundation-model integration (small / medium / mpa-0 / matpes parity)

  #558·PythonFZ opened May 4, 2026Contributor·2 of 5 tasks·

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  1

• Added Grain Data Pipeline

  #537·M-R-Schaefer opened Feb 26, 2026Contributor·

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  12

• Allow model loading on CPUs, remove checkpoint warinings during training

  #536·M-R-Schaefer opened Feb 26, 2026Contributor·

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  1

• Introduce conditional neighborlist updating for vesin NL in ASE

  #519·M-R-Schaefer opened Feb 3, 2026Contributor·

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  2

• Added a bunch of type hints

  #518·M-R-Schaefer opened Feb 3, 2026Contributor·

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  26

• Add Flexible Switching Schedule Between Models

  enhancement
  #477·Tetracarbonylnickel opened Aug 5, 2025Contributor·1 task done·

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  1

• support optional data_path args

  #451·PythonFZ opened Jun 5, 2025Contributor·1 task·

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  3

• remove tensorboard

  #450·M-R-Schaefer opened Jun 4, 2025Contributor·

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• add plotly plot to BatchKernelSelection

  #380·PythonFZ opened Dec 4, 2024Contributor·

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• Torch Model

  #253·M-R-Schaefer opened Apr 3, 2024Contributor·

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