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Quickstart

  • Overview
  • Pitfalls

Examples

  • Tetracubes (shape classification)
  • Moment of inertia (regression of equivariant properties)
  • MD17: Ethanol (force field construction)

Useful recipes and tricks

  • Changing the default behavior of E3x
  • Neighbor/index lists
  • Basis functions
  • Constructing Cartesian tensors

API reference

  • e3x
e3x
  • Overview: module code

All modules for which code is available

  • e3x.config
  • e3x.nn.activations
  • e3x.nn.features
  • e3x.nn.functions.bernstein
  • e3x.nn.functions.chebyshev
  • e3x.nn.functions.cutoff
  • e3x.nn.functions.damping
  • e3x.nn.functions.gaussian
  • e3x.nn.functions.mappings
  • e3x.nn.functions.trigonometric
  • e3x.nn.functions.window
  • e3x.nn.initializers
  • e3x.nn.modules
  • e3x.nn.wrappers
  • e3x.ops.helpers
  • e3x.ops.indexed
  • e3x.ops.safe
  • e3x.so3.irreps
  • e3x.so3.quadrature
  • e3x.so3.rotations

© Copyright The e3x Authors. Revision ab86199f.

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