MCPcopy Create free account

hub / github.com/Yangxinsix/curator / functions

Functions1,670 in github.com/Yangxinsix/curator

⨍ Functions 1,670◇ Types & classes 262
↓ 4 callersMethod_compute
(self, input: torch.Tensor)
curator/layer/_atomwise_nn.py:136
↓ 4 callersFunction_ensure_list
(value, default=None)
curator/utils.py:528
↓ 4 callersMethod_format_header
(self, include_loader: bool)
curator/model/lit_module.py:826
↓ 4 callersMethod_format_metric_values
(self, stage: str, loss_dict: Dict, metrics_dict: Dict)
curator/model/lit_module.py:809
↓ 4 callersMethod_format_row
(self, epoch: int, batch: int, loader: Optional[str], values: List[float])
curator/model/lit_module.py:836
↓ 4 callersMethod_get_avg_num_neighbors
(self)
curator/data/datamodule.py:385
↓ 4 callersMethod_get_env_bool
(var_name: str, default: bool)
curator/simulate/lammps_mliap_interface.py:41
↓ 4 callersMethod_get_species
(self, force_process=False)
curator/data/datamodule.py:364
↓ 4 callersMethod_get_state_tensor
(self, tensor, idx: Optional[int])
curator/simulate/callbacks/torchsim_logger.py:83
↓ 4 callersMethod_instantiate_readout
Instantiate readout, passing heads when supported.
curator/model/base.py:61
↓ 4 callersMethod_iter_batches
( self, dataset: Union[torch.utils.data.Dataset, DataLoader], dtype: Optional[torch.dt
curator/layer/feature/statistics.py:170
↓ 4 callersMethod_make_mlp
( self, in_features: Union[int, o3.Irreps], out_features: Union[int, o3.Irreps],
curator/layer/_atomwise_nn.py:190
↓ 4 callersFunction_make_path_spec
(key: tuple[int, ...], path_shape: Iterable[int], weight_slice: slice)
curator/layer/wrappers/cueq_elora.py:47
↓ 4 callersMethod_num_atoms
(dataset: torch.utils.data.Dataset)
curator/select/active_learning.py:512
↓ 4 callersFunction_update_heads_cfg
(cfg: DictConfig, keypath: str, heads: List)
curator/utils.py:542
↓ 4 callersFunction_upgrade_legacy_checkpoint_model
(model: torch.nn.Module)
curator/model/checkpoint_upgrade.py:171
↓ 4 callersMethod_write_log_and_console
( self, message: str, level: int = logging.INFO, progress: bool = False, )
curator/model/lit_module.py:781
↓ 4 callersMethodattach
(self, fn: Callable[[], None], interval: int = 1)
curator/simulate/core/engine.py:13
↓ 4 callersFunctionbind_target_layer_aliases
(adapter: nn.Module, target_layer: str, module: nn.Module)
curator/model/utils.py:289
↓ 4 callersFunctionbuild_representation
(cutoff: float)
curator/model/adapter/utils.py:85
↓ 4 callersFunctionbuild_scalar_linear
( in_features: int, out_features: int, *, use_elora: bool = False, rank: int = 16, alp
curator/layer/wrappers/scalar.py:140
↓ 4 callersMethodcalculate_metrics
(self, labels: Dict[str, Any])
curator/evaluate/evaluator.py:254
↓ 4 callersFunctioncross
curator/native/neighbors.cpp:152
↓ 4 callersMethoddata
curator/native/neighbors.cpp:91
↓ 4 callersFunctiondeploy
( model_path: Union[str, list], target_path: str = "compiled_model.pt", load_weights_only: bool =
curator/commands/deploy.py:266
↓ 4 callersFunctionensure_torch_safe_globals
Register safe globals needed by third-party torch.load callsites. PyTorch 2.6+ defaults ``torch.load(..., weights_only=True)`` when the calls
curator/_torch_compat.py:9
↓ 4 callersFunctionensure_torch_serialization_compat
()
curator/layer/wrappers/utils.py:27
↓ 4 callersMethodexchange_info
( self, node_feat, lammps_data: Optional[Any], n_ghost: Optional[int],
curator/layer/_interaction.py:10
↓ 4 callersFunctionextract_cells
(data: properties.Type, batch_size: int)
curator/model/utils.py:48
↓ 4 callersFunctionfeature_spec_from_object
(obj: Any)
curator/layer/feature/common.py:223
↓ 4 callersFunctionfind_best_model
Return an existing file path directly or the best ckpt path under a run directory.
curator/utils.py:325
↓ 4 callersMethodget_column
(self, i: int)
curator/select/kernel.py:11
↓ 4 callersMethodget_ens_stats
(self, dataset: Optional[torch.utils.data.Dataset] = None)
curator/layer/feature/statistics.py:73
↓ 4 callersMethodget_features
( self, dataset: Optional[torch.utils.data.Dataset] = None, normalize: bool = True,
curator/layer/feature/statistics.py:56
↓ 4 callersMethodget_sq_dists
(self, i: int)
curator/select/kernel.py:17
↓ 4 callersMethodget_stress
(self, ctx: SimContext)
curator/simulate/callbacks/thermo.py:128
↓ 4 callersMethodget_volume
(self, ctx: SimContext)
curator/simulate/callbacks/thermo.py:142
↓ 4 callersFunctionload_official_mace_as_curator
( model_ref: Union[str, Path], *, head: Optional[Union[str, int]] = None, device: Optional[tor
curator/model/conversion.py:1554
↓ 4 callersMethodload_values
(self, values: Dict[int, float])
curator/layer/_rescale.py:174
↓ 4 callersFunctionlog_logo
(logger: Optional[logging.Logger] = None)
curator/commands/common.py:92
↓ 4 callersFunctionmake_lora_matrix_pair
( rows: int, cols: int, *, rank: int, init_scale: float = 1.0, shape_prefix: Sequence[
curator/layer/wrappers/utils.py:89
↓ 4 callersMethodndim
curator/native/neighbors.cpp:76
↓ 4 callersFunctionread_user_config
( cfg: Union[DictConfig, PosixPath, str, None] = None, config_path: str = "configs", config_name:
curator/config_utils.py:192
↓ 4 callersMethodrequire_itemsize
curator/native/neighbors.cpp:84
↓ 4 callersMethodreset_metrics
(self, subset: Optional[str]=None)
curator/train/model_output.py:196
↓ 4 callersFunctionresolve_target_layer
( model: nn.Module, target_layer: str, fallbacks: Iterable[str] = (), )
curator/model/utils.py:273
↓ 4 callersMethodsetup_dataset
(self, data_type: DataTypeName, datapath: str)
curator/data/datamodule.py:211
↓ 4 callersFunctiontimer
Context manager for timing code blocks.
curator/simulate/lammps_mliap_interface.py:50
↓ 4 callersMethodto_dict
(self)
curator/layer/wrappers/config.py:19
↓ 3 callersFunctionFullyConnectedTensorProduct
(*args, **kwargs)
curator/layer/_ops.py:19
↓ 3 callersFunctionOeqSymmetricContraction
(*args, freeze_base: bool = False, **kwargs)
curator/layer/wrappers/oeq.py:622
↓ 3 callersFunctionTensorProduct
(*args, **kwargs)
curator/layer/_ops.py:15
↓ 3 callersMethod__init__
( self, *args, rank: int = 16, alpha: float = 16.0, elora_freeze_base:
curator/layer/wrappers/cueq_elora.py:305
↓ 3 callersMethod__init__
( self, num_features: int, pooling: str = "sum", layer_combine: str = "concat"
curator/layer/feature/kme.py:33
↓ 3 callersMethod__init__
( self, raw_feature_source: str, num_features: int = 0, layer_combine: str = "
curator/layer/feature/projector.py:16
↓ 3 callersMethod__init__
(self, num_col: int)
curator/select/kernel.py:5
↓ 3 callersMethod_apply_band_and_stop
(self, ctx: SimContext)
curator/simulate/callbacks/thermo_uncertainty.py:156
↓ 3 callersMethod_apply_batch_weight
(self, loss_dict: Dict, num_obs_dict: Dict, batch: Dict)
curator/model/lit_module.py:120
↓ 3 callersMethod_apply_cutoff_mask
Apply edge cutoff mask in-place. Returns original (edge_idx, edge_diff, edge_dist) for optional downstream use.
curator/model/base.py:114
↓ 3 callersMethod_apply_elora_weight
(self, weight: torch.Tensor)
curator/layer/wrappers/elora.py:43
↓ 3 callersMethod_apply_pathwise_elora
(self, weight: torch.Tensor)
curator/layer/wrappers/cueq_elora.py:253
↓ 3 callersMethod_apply_single_weight_elora
(self, weight: torch.Tensor)
curator/layer/wrappers/utils.py:159
↓ 3 callersMethod_as_dict
(computed: Union[torch.Tensor, Dict[str, torch.Tensor]], kernel_names: List[str])
curator/layer/feature/statistics.py:263
↓ 3 callersFunction_as_irreps
(value: Union[o3.Irreps, str, None])
curator/model/nequip.py:24
↓ 3 callersMethod_collect_dataloader_indices
(self, stage: str)
curator/model/lit_module.py:873
↓ 3 callersFunction_consume_irreps_args
(args, kwargs, *names)
curator/layer/wrappers/cueq.py:133
↓ 3 callersFunction_copy_config
Return a mutable DictConfig copy for easier manipulation.
curator/utils.py:58
↓ 3 callersFunction_effective_rescale_heads
(dm)
curator/layer/_rescale.py:16
↓ 3 callersMethod_ensure_buffer_name
(buffer_names: list[str], idx: int, prefix: str)
curator/layer/feature/projector.py:143
↓ 3 callersMethod_ensure_projection
( self, buffer_names: list[str], block: torch.Tensor, layer_idx: int,
curator/layer/feature/kme.py:163
↓ 3 callersMethod_ensure_rff_parameters
( self, weight_buffers: list[str], bias_buffers: list[str], block: torch.Tenso
curator/layer/feature/kme.py:273
↓ 3 callersMethod_flatten_input
(tensor: torch.Tensor, expected_dim: int)
curator/layer/wrappers/oeq.py:228
↓ 3 callersMethod_format_output
Return a result dictionary including warning and outlier flags.
curator/simulate/uncertainty/base.py:33
↓ 3 callersMethod_get_ase_target
(self, atoms, property_key: str)
curator/data/datamodule.py:340
↓ 3 callersMethod_get_image_idx
( data: properties.Type, natoms: int, device: torch.device, dtype: torch.dtype
curator/model/ensemble.py:72
↓ 3 callersFunction_has_configured_representation_readout
(cfg: DictConfig)
curator/utils.py:549
↓ 3 callersMethod_init_base_wrapper
( self, base: nn.Module, path_specs: list[_CueqPathSpec], *, rank: int
curator/layer/wrappers/cueq_elora.py:286
↓ 3 callersMethod_init_single_weight_elora
( self, shape: Sequence[int] | None, *, rank: int, alpha: float,
curator/layer/wrappers/utils.py:137
↓ 3 callersMethod_initialize_transforms
( self, *, scale_trainable: bool = False, shift_trainable: bool = False, )
curator/layer/_rescale.py:270
↓ 3 callersFunction_is_auto
(value)
curator/utils.py:525
↓ 3 callersMethod_merge_single_weight_elora
(self, target: nn.Parameter)
curator/layer/wrappers/utils.py:164
↓ 3 callersMethod_move_transforms_to_device
(self, device: torch.device)
curator/interface/torchsim.py:344
↓ 3 callersMethod_normalize_readout_factory
( readout: Union[nn.Module, Type[nn.Module], Callable, Dict[str, Any]], *, base_cls: T
curator/model/base.py:101
↓ 3 callersMethod_randn_tensor
( rows: int, cols: int, device: torch.device, dtype: torch.dtype, seed
curator/layer/feature/projector.py:155
↓ 3 callersFunction_read_trajectory_path
(path: str, *args, **kwargs)
curator/data/utils.py:66
↓ 3 callersFunction_reorder_specs
( descriptor_specs: list[_CueqPathSpec], reference_specs: list[tuple[tuple[int, ...], tuple[int, ...]]
curator/layer/wrappers/cueq_elora.py:157
↓ 3 callersFunction_resolve_data_dtype
(datamodule: Any)
curator/commands/train.py:34
↓ 3 callersMethod_resolve_inputs
(self, pred: Dict, target: Optional[Dict] = None, apply_sampling: bool = False)
curator/train/model_output.py:69
↓ 3 callersMethod_restore_cutoff_mask
Restore edges previously masked by _apply_cutoff_mask.
curator/model/base.py:134
↓ 3 callersMethod_rff_map
( block: torch.Tensor, weight: torch.Tensor, bias: torch.Tensor, output_dim: i
curator/layer/feature/kme.py:265
↓ 3 callersMethod_rff_map
( block: torch.Tensor, weight: torch.Tensor, bias: torch.Tensor, output_dim: i
curator/layer/feature/projector.py:211
↓ 3 callersMethod_runtime_tp
(self, dtype: torch.dtype)
curator/layer/wrappers/oeq.py:207
↓ 3 callersMethod_set_buffer_tensor
(self, name: str, tensor: torch.Tensor)
curator/layer/feature/projector.py:148
↓ 3 callersMethod_should_debug_rescale
(self, stage: str)
curator/model/lit_module.py:915
↓ 3 callersFunction_split_slice_spec
(path: str)
curator/data/utils.py:36
↓ 3 callersMethod_supports_projection
( self, in_features: Union[int, o3.Irreps], out_features: Union[int, o3.Irreps], )
curator/layer/_atomwise_nn.py:219
↓ 3 callersFunction_target_name
(cfg: Any)
curator/simulate/sim_logging.py:10
↓ 3 callersFunction_to_container
(config_like)
curator/utils.py:99
↓ 3 callersFunction_to_int
(value: str)
curator/data/utils.py:57
↓ 3 callersMethod_unpack_data_tuple
(self, data, columns=None)
curator/data/sql_database.py:108
← previousnext →101–200 of 1,670, ranked by callers