BuildModel
BuildModel.launch()
BuildModel.load_full()
BuildModel.load_weights()
BuildModel.save_full()
BuildModel.save_weights()
build_model()
MDFeaturePipeline
MDFeaturePipeline.featurize_trajectory()
MDFeaturePipeline.launch()
MDFeaturePipeline.topology_indices()
mdfeaturizer()
TrainModel
TrainModel.create_datamodule()
TrainModel.fit_model()
TrainModel.get_callbacks()
TrainModel.get_logger()
TrainModel.get_profiler()
TrainModel.get_trainer()
TrainModel.launch()
TrainModel.load_dataset()
TrainModel.load_model()
TrainModel.save_full()
train_model()
EvaluateModel
EvaluateModel.create_dataloader()
EvaluateModel.evaluate_decoder()
EvaluateModel.evaluate_encoder()
EvaluateModel.evaluate_full_model()
EvaluateModel.launch()
EvaluateModel.load_dataset()
EvaluateModel.load_model()
evaluate_model()
EvaluateEncoder
EvaluateEncoder.create_dataloader()
EvaluateEncoder.evaluate_encoder()
EvaluateEncoder.launch()
EvaluateEncoder.load_dataset()
EvaluateEncoder.load_model()
encode_model()
EvaluateDecoder
EvaluateDecoder.create_dataloader()
EvaluateDecoder.evaluate_decoder()
EvaluateDecoder.launch()
EvaluateDecoder.load_dataset()
EvaluateDecoder.load_model()
decode_model()
GeneratePlumed
GeneratePlumed.launch()
make_plumed()
Feat2Traj
Feat2Traj.launch()
feat2traj()
LRP
LRP.compute_global_importance()
LRP.create_dataloader()
LRP.launch()
LRP.load_dataset()
LRP.load_model()
LRP.mask_idx()
relevance_propagation()