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POC: optimize the graph network with CUDA Graph #60

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@raimis raimis commented Feb 23, 2022

This is just a proof of concept. DO NOT MERGE!

  • Implement DistanceBruteForce
  • Integrate into TorchMD_GN
  • Make compatible with CUDA Graphs
  • Tests
  • Benchmark

Depends on #59

@raimis raimis self-assigned this Feb 23, 2022
@raimis raimis mentioned this pull request Feb 23, 2022
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raimis commented Jan 4, 2024

This is obsolted

@raimis raimis closed this Jan 4, 2024
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