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    • Two scripts that can be used to run cp2k regtests on frontier
      Python
      0100Updated Aug 8, 2025Aug 8, 2025
    • torchdet

      Public
      This is a tool for finding non-deterministic functions in your pytorch code.
      Python
      22220Updated Jun 26, 2025Jun 26, 2025
    • A deep learning package for many-body potential energy representation and molecular dynamics
      C++
      569000Updated Dec 21, 2024Dec 21, 2024
    • Mathematica
      0100Updated Sep 30, 2024Sep 30, 2024
    • mlf-core

      Public
      CPU and GPU deterministic and therefore fully reproducible machine learning pipelines using MLflow.
      Python
      4000Updated Mar 6, 2023Mar 6, 2023