MindSpore Chemistry

Quick Start

  • Quick Start

User Guide

  • Structure Generation
  • Molecular Prediction

API References

  • mindchemistry.cell
  • mindchemistry.e3
  • mindchemistry.utils

RELEASE NOTES

  • Release Notes
MindSpore Chemistry
  • »
  • Overview: module code

All modules for which code is available

  • mindchemistry.cell.allegro.allegro
  • mindchemistry.cell.basic_block
  • mindchemistry.cell.orb.gns
  • mindchemistry.cell.orb.orb
  • mindchemistry.e3.nn.activation
  • mindchemistry.e3.nn.batchnorm
  • mindchemistry.e3.nn.fc
  • mindchemistry.e3.nn.gate
  • mindchemistry.e3.nn.normact
  • mindchemistry.e3.nn.one_hot
  • mindchemistry.e3.o3.irreps
  • mindchemistry.e3.o3.norm
  • mindchemistry.e3.o3.rotation
  • mindchemistry.e3.o3.spherical_harmonics
  • mindchemistry.e3.o3.sub
  • mindchemistry.e3.o3.tensor_product
  • mindchemistry.e3.o3.wigner
  • mindchemistry.e3.utils.ncon
  • mindchemistry.e3.utils.radius
  • mindchemistry.utils.load_config

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