MindSpore

Molecular Simulation Introduction

  • Physics Driven
  • Data Driven
  • Physics Data Fusion

User Guide

  • Molecular Simulation
  • Molecular Structure Prediction
  • Molecular Properties Prediction
  • Molecular Design
  • Molecular Foundation Model

API References

  • mindsponge.cell
  • mindsponge.common
  • mindsponge.data_transform
  • mindsponge.metrics
  • sponge.control
  • sponge.core
  • sponge.function
  • sponge.optimizer
  • sponge.potential
  • sponge.system
  • Constants

RELEASE NOTES

  • Release Notes
MindSpore
  • »
  • Overview: module code

All modules for which code is available

  • mindsponge.cell.basic
  • mindsponge.cell.equivariant
  • mindsponge.cell.msa
  • mindsponge.cell.transition
  • mindsponge.cell.triangle
  • mindsponge.common.geometry
  • mindsponge.common.utils
  • mindsponge.data_transform.data_transform
  • mindsponge.metrics.metrics
  • mindsponge.metrics.structure_violations
  • sponge.control.controller
  • sponge.core.simulation.energy
  • sponge.core.simulation.run
  • sponge.function.functions
  • sponge.function.operations
  • sponge.function.units
  • sponge.optimizer.updater
  • sponge.potential.energy.energy
  • sponge.potential.potential
  • sponge.system.molecule.molecule
  • sponge.system.residue.residue

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