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ByteFF2 v1.1.0: Unified ByteFF and ByteFF-Pol Release

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@zhengtianze zhengtianze released this 23 Sep 12:11
v1.1.0
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ByteFF2 v1.1.0

This release brings ByteFF and ByteFF-Pol together in a unified codebase and provides a consistent interface for loading and using the released force fields.

Highlights

  • Integrated ByteFF and ByteFF-Pol into the ByteFF2 package.

  • Open-sourced ByteFF-26, including a five-member model ensemble for molecular force field parameter generation.

  • Updated the previously released ByteFF-Pol model for compatibility with ByteFF2. The compatible release is now named ByteFF-Pol-25.

  • Added a unified interface for loading released models:

    from byteff2.train import load_pretrained_model

byteff = load_pretrained_model("ByteFF-26")
byteff_pol = load_pretrained_model("ByteFF-Pol-25")
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