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Accelerate the limited TorchMD_GN with NNPOps #50

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Merged
merged 15 commits into from
Feb 22, 2022

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@raimis raimis commented Jan 10, 2022

  • Integrate NNPOps
  • Tests
  • Benchmarks

Depend on openmm/NNPOps#40

@raimis raimis self-assigned this Jan 10, 2022
@raimis raimis force-pushed the optimize_gn branch 3 times, most recently from b15c48c to eca49db Compare February 16, 2022 17:04
@raimis raimis marked this pull request as ready for review February 21, 2022 17:56
@raimis raimis requested review from stefdoerr and dav0dea February 21, 2022 17:56
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raimis commented Feb 21, 2022

@PhilippThoelke @stefdoerr can you review?

@raimis raimis merged commit 0d85661 into torchmd:main Feb 22, 2022
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2 participants