ml

The machine learning subpackage of mldft.

It contains all necessary functionalities to train neural networks on OF-DFT data.

Modules

callbacks	Submodule for pytorch lightning callbacks.
compute_dataset_statistics	Entry point for computing dataset statistics.
data	Data loading for the training and evaluation of ML models.
models	Submodule containing the neural network models.
preprocess	Modules relevant before training, in particular computation of dataset statistics.
train	Main entry point for training.