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amaceing_toolkit documentation
amaceing_toolkit documentation

User Guide

  • Installation
  • Getting Started
  • Tutorials
  • Workflow Overview
  • Configuration Guide

Module Reference

  • CP2K Module
  • MACE Module
  • MatterSim Module
  • SevenNet Module
  • ORB Module
  • GRACE Module
  • Analyzer Module
  • Utilities Module

API Reference

  • API Reference

Examples

  • 4KOH_92H2O Example
    • CP2K Examples
    • MACE Examples
    • MatterSim Examples
    • SevenNet Examples
    • ORB Examples
    • GRACE Examples
    • Utils Examples
  • Other Examples
  • Analyzer Examples
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