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  1. microsoft/AI2BMDmicrosoft/AI2BMDPublic

    AI-powered ab initio biomolecular dynamics simulation

    Python 580 83

  2. alphafold3alphafold3Public

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    AlphaFold 3 inference pipeline.

    Python 5

  3. OnlyLoveKFC/ProteinAE_v1OnlyLoveKFC/ProteinAE_v1Public

    ICLR 2026

    Python 23 3