All modules for which code is available
- mala.common.check_modules
- mala.common.json_serializable
- mala.common.parallelizer
- mala.common.parameters
- mala.common.physical_data
- mala.datageneration.ofdft_initializer
- mala.datageneration.trajectory_analyzer
- mala.datahandling.data_converter
- mala.datahandling.data_handler
- mala.datahandling.data_handler_base
- mala.datahandling.data_scaler
- mala.datahandling.data_shuffler
- mala.datahandling.fast_tensor_dataset
- mala.datahandling.lazy_load_dataset
- mala.datahandling.lazy_load_dataset_single
- mala.datahandling.ldos_aligner
- mala.datahandling.multi_lazy_load_data_loader
- mala.datahandling.snapshot
- mala.descriptors.atomic_density
- mala.descriptors.bispectrum
- mala.descriptors.descriptor
- mala.descriptors.lammps_utils
- mala.descriptors.minterpy_descriptors
- mala.interfaces.ase_calculator
- mala.network.acsd_analyzer
- mala.network.hyper_opt
- mala.network.hyper_opt_naswot
- mala.network.hyper_opt_oat
- mala.network.hyper_opt_optuna
- mala.network.hyperparameter
- mala.network.hyperparameter_acsd
- mala.network.hyperparameter_naswot
- mala.network.hyperparameter_oat
- mala.network.hyperparameter_optuna
- mala.network.multi_training_pruner
- mala.network.naswot_pruner
- mala.network.network
- mala.network.objective_base
- mala.network.objective_naswot
- mala.network.predictor
- mala.network.runner
- mala.network.tester
- mala.network.trainer
- mala.targets.atomic_force
- mala.targets.calculation_helpers
- mala.targets.cube_parser
- mala.targets.density
- mala.targets.dos
- mala.targets.ldos
- mala.targets.target
- mala.targets.xsf_parser