hippynn

This is summary documentation for hippynn module. Click here for full documentation.

API Summary for sub-modules:

• custom_kernels
• databases
• experiment
• graphs
• interfaces
• layers
• networks
• optimizer
• plotting
• pretraining
• tools

Links to Full Documentation:

The hippynn python package.

settings

Values for the current hippynn settings. See Library Settings for a description.

Modules

custom_kernels	Custom Kernels for hip-nn interaction sum.
databases	Organized datasets for training and prediction.
experiment	Functions for training.
graphs	Graph objects in hipppynn.
interfaces	hippynn currently has interfaces to the following other codes:
layers	Pytorch modules that represent composable pieces of models.
networks	Composite pytorch modules that represent larger models.
optimizer	Functionality for Batch geometry optimization of configurations under a potential energy surface..
plotting	Facilities for plotting data during validation/test evaluations.
pretraining	Things to do before training, i.e. initialization of network and diagnostics.
tools	Misc.