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HydraGNN v2.0.0 Release

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@allaffa allaffa released this 20 Jan 15:37
· 114 commits to main since this release
9fae102

Summary

New or improved capabilities included in v2.0.0 release are as follows:

  • Enhancement in message passing layers through class inheritance
  • Adding transformation to ensure translation and rotation invariance
  • Supporting various optimizers
  • Atomic descriptors
  • Integration with continuous CI test
  • Distributed printouts and timers
  • Profiling
  • Support of ADIOS2 for scalable data loading
  • Large-scale system support, including Summit (ORNL) and Perlmutter (NERSC)

Capabilities provided in v1.0.0 release (Oct 2021)

Major capabilities included in the previous release v1.0.0 are as follows:

  • Multi-task graph neural network training with enhanced message passing layers
  • Distributed Data Parallelism (DDP) support