Serialization

metatensor.torch.save(file: str | Path | BinaryIO, data: TensorMap | TensorBlock | Labels)

Save the given data (either TensorMap, TensorBlock, or Labels) to the given file.

If the file already exists, it is overwritten. The recomended file extension when saving data is .mts, to prevent confusion with generic .npz files.

Parameters:

• file (str | Path | BinaryIO) –

  path of the file where to save the data, or already opened file.

  Warning

  When using this function in TorchScript mode, only str arguments are supported.

• data (TensorMap | TensorBlock | Labels) – data to serialize and save

metatensor.torch.save_buffer(data: TensorMap | TensorBlock | Labels) → Tensor

Save the given data (either TensorMap, TensorBlock, or Labels) to an in-memory buffer, represented as 1-dimensional torch.Tensor of uint8.

Parameters:

data (TensorMap | TensorBlock | Labels) – data to serialize and save

Return type:

Tensor

metatensor.torch.load(file: str | Path | BinaryIO) → TensorMap

Load a previously saved TensorMap from the given file.

TensorMap are serialized using the .mts format, i.e. a ZIP file without compression (storage method is STORED), where each file is stored as a .npy array. See the C API documentation for more information on the format.

Parameters:

file (str | Path | BinaryIO) –

path of the file to load, or already opened file.

Warning

When using this function in TorchScript mode, only str arguments are supported.

Return type:

TensorMap

metatensor.torch.load_block(file: str | Path | BinaryIO) → TensorBlock

Load previously saved TensorBlock from the given file.

Parameters:

• path –

  path of the file to load, or already opened file.

  Warning

  When using this function in TorchScript mode, only str arguments are supported.

• file (str | Path | BinaryIO)

Return type:

TensorBlock

metatensor.torch.load_labels(file: str | Path | BinaryIO) → Labels

Load previously saved Labels from the given file.

Parameters:

file (str | Path | BinaryIO) –

path of the file to load, or already opened file.

Warning

When using this function in TorchScript mode, only str arguments are supported.

Return type:

Labels

metatensor.torch.load_buffer(buffer: Tensor) → TensorMap

Load a previously saved TensorMap from an in-memory buffer, stored inside a 1-dimensional torch.Tensor of uint8.

Parameters:

buffer (Tensor) – CPU tensor of uint8 representing a in-memory buffer

Return type:

TensorMap

metatensor.torch.load_block_buffer(buffer: Tensor) → TensorBlock

Load a previously saved TensorBlock from an in-memory buffer, stored inside a 1-dimensional torch.Tensor of uint8.

Parameters:

buffer (Tensor) – CPU tensor of uint8 representing a in-memory buffer

Return type:

TensorBlock

metatensor.torch.load_labels_buffer(buffer: Tensor) → Labels

Load a previously saved Labels from an in-memory buffer, stored inside a 1-dimensional torch.Tensor of uint8.

Parameters:

buffer (Tensor) – CPU tensor of uint8 representing a in-memory buffer

Return type:

Labels