schnetpack.task

AtomisticTask	The basic learning task in SchNetPack, which ties model, loss and optimizer together.
ModelOutput	Defines an output of a model, including mappings to a loss function and weight for training and metrics to be logged.
UnsupervisedModelOutput	Defines an unsupervised output of a model, i.e. an unsupervised loss or a regularizer that do not depend on label data.