Code

A better PyTorch wrapper#19

Code

Merged

peastman merged 14 commits intoopenmm:masteropenmm/NNPOps:masterfrom raimis:pytorch_2raimis/NNPOps:pytorch_2Copy head branch name to clipboardApr 26, 2021

+146-124

Commits

Commits on Nov 9, 2020

• Move CustomANISymmetryFunctions construction to ANISymmetryFunctionsOp

  

  Raimondas Galvelis

  committed
  1c001b1

• Move CustomANISymmetryFunctions construction to TorchANISymmetryFunctions.forward

  

  Raimondas Galvelis

  committed
  c8d3d83

• Move CustomANISymmetryFunctions construction to TorchANISymmetryFunctions.forward

  

  Raimondas Galvelis

  committed
  3c59e74

Commits on Nov 12, 2020

• Create NNPOps::ANISymmetryFunctions namespace

  

  Raimondas Galvelis

  committed
  2831b77

• Simplify names

  

  Raimondas Galvelis

  committed
  fd1b3b2

• Simplify types

  

  Raimondas Galvelis

  committed
  539b3f2

Commits on Mar 31, 2021

• Merge branch 'master' into pytorch_2

  

  Raimondas Galvelis

  committed
  9591f44

• Fix typo

  

  Raimondas Galvelis

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  93c68e0

• Implement Holder::is_initialized

  

  Raimondas Galvelis

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  14860f0

• Don't use Optional[Holder]

  

  Raimondas Galvelis

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  0bef571

• Fix serializaton

  

  Raimondas Galvelis

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  ab140a5

• Update the benckmark

  

  Raimondas Galvelis

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  8676d00

• Update the build instructions

  

  Raimondas Galvelis

  committed
  a1f9114

• Fix the constructor

  

  Raimondas Galvelis

  committed
  339e99c