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0.1.3

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@sayeg84 sayeg84 released this 04 Feb 11:07
· 46 commits to main since this release

Important changes:

  • Acceleration of mace and allegro models via the cuequivariance library from Nvidia.
  • Added continuity testing to ensure backwards compatibility.
  • Refactor and theme change of the documentation.
  • Added neighborlist method as argument to several methods, positibility to use torch or nvidia implementations