faenet
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  • About

User Guide

  • Installation
  • Getting started
    • Frame Averaging
    • Model Forward Pass with Frame Averaging
    • FAENet
    • Evaluation
    • Tests

Reference

  • faenet
    • Submodules
      • faenet.base_model
        • Module Contents
      • faenet.embedding
        • Module Contents
      • faenet.eval
        • Module Contents
      • faenet.fa_forward
        • Module Contents
      • faenet.force_decoder
        • Module Contents
      • faenet.frame_averaging
        • Module Contents
      • faenet.model
        • Module Contents
      • faenet.transforms
        • Module Contents
      • faenet.utils
        • Module Contents
    • Package Contents
      • __version__
  • faenet.base_model
    • Module Contents
      • Classes
        • BaseModel
  • faenet.embedding
    • Module Contents
      • Classes
        • PhysEmbedding
  • faenet.eval
    • Module Contents
      • Functions
        • eval_model_symmetries()
        • reflect_graph()
        • rotate_graph()
        • transform_batch()
  • faenet.fa_forward
    • Module Contents
      • Functions
        • model_forward()
  • faenet.force_decoder
    • Module Contents
      • Classes
        • ForceDecoder
        • LambdaLayer
  • faenet.frame_averaging
    • Module Contents
      • Functions
        • check_constraints()
        • compute_frames()
        • data_augmentation()
        • frame_averaging_2D()
        • frame_averaging_3D()
  • faenet.model
    • Module Contents
      • Classes
        • EmbeddingBlock
        • FAENet
        • InteractionBlock
        • OutputBlock
  • faenet.transforms
    • Module Contents
      • Classes
        • FrameAveraging
        • Transform
  • faenet.utils
    • Module Contents
      • Classes
      • Functions
        • GaussianSmearing
        • RandomReflect
        • RandomRotate
        • base_preprocess()
        • get_pbc_distances()
        • pbc_preprocess()
        • swish()
faenet
  • Overview: module code

All modules for which code is available

  • faenet
    • faenet.base_model
    • faenet.embedding
    • faenet.eval
    • faenet.fa_forward
    • faenet.force_decoder
    • faenet.frame_averaging
    • faenet.model
    • faenet.transforms
    • faenet.utils

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