Examples

Here are some examples about how to use various features in hippynn. Besides the Minimal Workflow example, the examples are just snippets, rather than full scripts. For runnable example scripts, see the examples at the hippynn github repository

• 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