:modulename:`trainers` ================================ .. automodule:: chemtrain.trainers .. currentmodule:: chemtrain.trainers The ``trainers`` module provides a high-level interface to train models via **chemtrain**'s algorithms. The :ref:`base_trainers` provide the core algorithms, while :ref:`combining_trainers`, allows the construction of more advanced training schemes from multiple algorithms. .. _base_trainers: Base Trainers -------------- .. autosummary:: :toctree: _autosummary :template: class.rst Difftre DifftreParallel PropertyPrediction ForceMatching RelativeEntropy SGMCForceMatching .. _combining_trainers: Combining Trainers ------------------- .. autosummary:: :toctree: _autosummary :template: class.rst InterleaveTrainers Train Multiple Models ---------------------- .. autosummary:: :toctree: _autosummary :template: class.rst EnsembleOfModels Trainer Templates ------------------ .. currentmodule:: chemtrain.trainers.base .. autosummary:: :toctree: _autosummary :template: class.rst MLETrainerTemplate DataParallelTrainer EarlyStopping Extensions ------------ **chemtrain** provides some extensions to the :ref:`base_trainers`, e.g., to log data to services allowing live tracking of the training process. Logging to `Weights and Biases `_ ________________________________________________________ .. currentmodule:: chemtrain.trainers.extensions .. autosummary:: :toctree: _autosummary :template: function.rst wandb_log_difftre