All notable changes to metatensor-operations are documented here, following the keep a changelog format. This project follows Semantic Versioning.



  • We now require Python >= 3.9

Version 0.2.2 - 2024-06-19


  • Fixed a bug in metatensor.torch.sort where the labels where not properly sorted (#647)

  • Fix metatensor.abs when used with complex values (#553)

Version 0.2.1 - 2024-03-01


  • Use torch.jit.script by default on all operations when using the TorchScript backend (i.e. metatensor.torch) (#504)

Version 0.2.0 - 2024-02-07


  • join() operation now includes the sort_samples argument to control the sorting of samples in the output joined TensorMap. This defaults to False, opposite to the previous default behaviour.


  • detach() operation to detach all values in a TensorMap/TensorBlock from any computational graph

  • requires_grad() operation to set the requires_grad of all values in a TensorMap/TensorBlock when storing data in torch Tensors.


  • the to operation was removed. Similar functionality is now offered by,, and the operations detach() and requires_grad().

Version 0.1.0 - 2023-10-11


  • Creation operations: empty_like(), ones_like(), zeros_like(), random_like(), block_from_array();

  • Linear algebra: dot(), lstsq(), solve();

  • Logic function: allclose(), equal(), equal_metadata();

  • Manipulation operations: drop_blocks(), join(), manipulate dimension, one_hot(), remove_gradients(), samples reduction, slice(), split(), to();

  • Mathematical functions: abs(), add(), divide(), multiply(), pow(), subtract();

  • Set operations: unique_metadata(), sort();