Index _ | A | C | D | E | F | G | I | L | M | P | Q | R | S | T | U | V | W _ __dict__ (metatensor.models.utils.data.combine_dataloaders.CombinedDataLoader attribute) __len__() (metatensor.models.utils.data.combine_dataloaders.CombinedDataLoader method) __module__ (metatensor.models.utils.data.combine_dataloaders.CombinedDataLoader attribute) __weakref__ (metatensor.models.utils.data.combine_dataloaders.CombinedDataLoader attribute) A apply_composition_contribution() (in module metatensor.models.utils.composition) ArchitectureError C calculate_composition_weights() (in module metatensor.models.utils.composition) check_architecture_name() (in module metatensor.models.utils.architectures) check_datasets() (in module metatensor.models.utils.data.dataset) check_options_list() (in module metatensor.models.utils.omegaconf) check_suffix() (in module metatensor.models.utils.io) check_units() (in module metatensor.models.utils.omegaconf) collate_fn() (in module metatensor.models.utils.data.dataset) CombinedDataLoader (class in metatensor.models.utils.data.combine_dataloaders) compute_gradient() (in module metatensor.models.utils.output_gradient) CustomHelpFormatter (class in metatensor.models.cli.formatter) D Dataset (class in metatensor.models.utils.data.dataset) DatasetInfo (class in metatensor.models.utils.data.dataset) default_device() (in module metatensor.models.utils.omegaconf) default_precision() (in module metatensor.models.utils.omegaconf) default_random_seed() (in module metatensor.models.utils.omegaconf) E ENERGY_READERS (in module metatensor.models.utils.data.readers.targets) eval_model() (in module metatensor.models.cli.eval) evaluate_model() (in module metatensor.models.utils.evaluate_model) expand_dataset_config() (in module metatensor.models.utils.omegaconf) export() (in module metatensor.models.utils.io) F file_format() (in module metatensor.models.utils.omegaconf) finalize() (metatensor.models.utils.metrics.RMSEAccumulator method) find_all_architectures() (in module metatensor.models.utils.architectures) FORCES_READERS (in module metatensor.models.utils.data.readers.targets) G get_all_species() (in module metatensor.models.utils.data.dataset) get_all_targets() (in module metatensor.models.utils.data.dataset) get_architecture_name() (in module metatensor.models.utils.architectures) get_architecture_path() (in module metatensor.models.utils.architectures) get_default_hypers() (in module metatensor.models.utils.architectures) get_outputs_dict() (in module metatensor.models.utils.extract_targets) get_system_with_neighbor_lists() (in module metatensor.models.utils.neighbor_lists) gradients (metatensor.models.utils.data.dataset.TargetInfo attribute) group_and_join() (in module metatensor.models.utils.data.dataset) I is_exported() (in module metatensor.models.utils.io) L length_unit (metatensor.models.utils.data.dataset.DatasetInfo attribute) load() (in module metatensor.models.utils.io) log() (metatensor.models.utils.logging.MetricLogger method) M merge_capabilities() (in module metatensor.models.utils.merge_capabilities) metatensor.models.cli.eval module metatensor.models.cli.formatter module metatensor.models.cli.train module metatensor.models.utils.architectures module metatensor.models.utils.composition module metatensor.models.utils.data.combine_dataloaders module metatensor.models.utils.data.dataset module metatensor.models.utils.data.system_to_ase module metatensor.models.utils.devices module metatensor.models.utils.errors module metatensor.models.utils.evaluate_model module metatensor.models.utils.extract_targets module metatensor.models.utils.io module metatensor.models.utils.logging module metatensor.models.utils.loss module metatensor.models.utils.merge_capabilities module metatensor.models.utils.metrics module metatensor.models.utils.neighbor_lists module metatensor.models.utils.omegaconf module metatensor.models.utils.output_gradient module MetricLogger (class in metatensor.models.utils.logging) module metatensor.models.cli.eval metatensor.models.cli.formatter metatensor.models.cli.train metatensor.models.utils.architectures metatensor.models.utils.composition metatensor.models.utils.data.combine_dataloaders metatensor.models.utils.data.dataset metatensor.models.utils.data.system_to_ase metatensor.models.utils.devices metatensor.models.utils.errors metatensor.models.utils.evaluate_model metatensor.models.utils.extract_targets metatensor.models.utils.io metatensor.models.utils.logging metatensor.models.utils.loss metatensor.models.utils.merge_capabilities metatensor.models.utils.metrics metatensor.models.utils.neighbor_lists metatensor.models.utils.omegaconf metatensor.models.utils.output_gradient P per_atom (metatensor.models.utils.data.dataset.TargetInfo attribute) pick_devices() (in module metatensor.models.utils.devices) PREDICTIONS_WRITERS (in module metatensor.models.utils.data.writers) Q quantity (metatensor.models.utils.data.dataset.TargetInfo attribute) R read_energy() (in module metatensor.models.utils.data) read_energy_ase() (in module metatensor.models.utils.data.readers.targets) read_forces() (in module metatensor.models.utils.data) read_forces_ase() (in module metatensor.models.utils.data.readers.targets) read_stress() (in module metatensor.models.utils.data) read_stress_ase() (in module metatensor.models.utils.data.readers.targets) read_systems() (in module metatensor.models.utils.data) read_systems_ase() (in module metatensor.models.utils.data.readers.systems) read_targets() (in module metatensor.models.utils.data) read_virial() (in module metatensor.models.utils.data) read_virial_ase() (in module metatensor.models.utils.data.readers.targets) RMSEAccumulator (class in metatensor.models.utils.metrics) S save() (in module metatensor.models.utils.io) setup_logging() (in module metatensor.models.utils.logging) STRESS_READERS (in module metatensor.models.utils.data.readers.targets) SYSTEM_READERS (in module metatensor.models.utils.data.readers.systems) system_to_ase() (in module metatensor.models.utils.data.system_to_ase) T TargetInfo (class in metatensor.models.utils.data.dataset) targets (metatensor.models.utils.data.dataset.DatasetInfo attribute) TensorMapDictLoss (class in metatensor.models.utils.loss) TensorMapLoss (class in metatensor.models.utils.loss) train_model() (in module metatensor.models.cli.train) U unit (metatensor.models.utils.data.dataset.TargetInfo attribute) update() (metatensor.models.utils.metrics.RMSEAccumulator method) V VIRIAL_READERS (in module metatensor.models.utils.data.readers.targets) W write_predictions() (in module metatensor.models.utils.data.writers) write_xyz() (in module metatensor.models.utils.data.writers)