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Get Started

  • Installation
  • Excited State Dynamics

User Guide

  • Main Tasks and Overview
  • Data pipeline
  • Models
  • Interface between SchNetPack and SHARC

Tutorials

  • SPaiNN Workflow Example

SPaiNN

  • spainn.SPAINN
  • spainn.loss
  • spainn.multidatamodule
  • calculator
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