hippynn

Getting Started:

  • What is hippynn?
  • How to install hippynn
  • Research articles using hippynn
  • License

User Guide:

  • hippynn Features
  • hippynn Concepts
  • Databases
  • Model and Loss Graphs
  • Units in hippynn
  • Custom Kernels
  • Library Settings
  • Creating Custom Node Types

Examples:

  • Minimal Workflow
  • Controller
  • Plotting
  • Predictor
  • Ensembling Models
  • Periodic Boundary Conditions
  • Force Training
  • Restarting training
  • ASE Calculators
  • LAMMPS interface
  • Non-Adiabiatic Excited States
  • Weighted/Masked Loss Functions
  • Pytorch Lightning module
  • Hyperparameter optimization with Ax and Ray

API Documentation:

  • Full API Documentation
  • API Summary Pages
hippynn
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