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Published November 12, 2024 | Version v0.3.7b
Software Open

ACEsuit/mace: v0.3.7b

Authors/Creators

  • 1. University of Cambridge
  • 2. Radical AI
  • 3. @valence-labs
  • 4. Princeton University
  • 5. CuspAI
  • 6. Lawrence Berkeley National Laboratory
  • 7. BASF
  • 8. UC Berkeley, Lawrence Berkeley National Laboratory
  • 9. Charles University Prague
  • 10. @Radical-AI
  • 11. University of British Columbia
  • 12. University College London
  • 13. Fudan University
  • 14. University of Warwick
  • 15. University of Massachusetts Amherst

Description

Various bug fixes and release corresponding to the PyPI 0.3.7 for reference.

What's Changed

  • Fix compile_mode in MACECalculator by @hatemhelal in https://github.com/ACEsuit/mace/pull/632
  • Update README.md using bibtex by @jcwang587 in https://github.com/ACEsuit/mace/pull/628
  • Fix multihead prediction for eval_configs.py by @beckobert in https://github.com/ACEsuit/mace/pull/642
  • Updating compiler support and test cases by @hatemhelal in https://github.com/ACEsuit/mace/pull/634
  • Turn json keys representing elements into ints by @ThomasWarford in https://github.com/ACEsuit/mace/pull/652
  • Fix file name of swa checkpoints by @beckobert in https://github.com/ACEsuit/mace/pull/648
  • Increasing loss output digits by @vue1999 in https://github.com/ACEsuit/mace/pull/658
  • Fix model paths by @ElliottKasoar in https://github.com/ACEsuit/mace/pull/654
  • Density normalization by @ilyes319 in https://github.com/ACEsuit/mace/pull/667
  • Bug fix and density normalization by @ilyes319 in https://github.com/ACEsuit/mace/pull/668
  • List default arguments with --help by @vue1999 in https://github.com/ACEsuit/mace/pull/670
  • Fixing multihead finetuning with density normalization by @CheukHinHoJerry in https://github.com/ACEsuit/mace/pull/682
  • Add default argparser to main by @ilyes319 in https://github.com/ACEsuit/mace/pull/671
  • fix case with multihead foundation model by @ilyes319 in https://github.com/ACEsuit/mace/pull/687

New Contributors

  • @jcwang587 made their first contribution in https://github.com/ACEsuit/mace/pull/628
  • @beckobert made their first contribution in https://github.com/ACEsuit/mace/pull/642
  • @ThomasWarford made their first contribution in https://github.com/ACEsuit/mace/pull/652
  • @CheukHinHoJerry made their first contribution in https://github.com/ACEsuit/mace/pull/682

Full Changelog: https://github.com/ACEsuit/mace/compare/v0.3.7...v0.3.7b

Files

ACEsuit/mace-v0.3.7b.zip

Files (53.5 MB)

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Additional details

Related works

Is supplement to
Software: https://github.com/ACEsuit/mace/tree/v0.3.7b (URL)