Skip to content

Commit

Permalink
Add minimal documentation
Browse files Browse the repository at this point in the history
  • Loading branch information
frostedoyster committed Feb 25, 2024
1 parent 61ef2ca commit ff1377b
Showing 1 changed file with 39 additions and 0 deletions.
39 changes: 39 additions & 0 deletions docs/src/architectures/pet-jax.rst
Original file line number Diff line number Diff line change
@@ -0,0 +1,39 @@
.. _architecture-pet-jax:

PET-JAX
=========

This is a JAX implementation of the PET architecture.

Installation
------------
To use PET-JAX within ``metatensor-models``, you should already have
JAX installed for your platform (see the official JAX installation instructions).
Then, you can run the following command in the root directory of the repository:

.. code-block:: bash
pip install .[pet-jax]
Following this, it is also necessary to hot-fix a few lines of your torch installation
to allow PET-JAX models to be exported. This can be achieved by running the following
Python script:

.. literalinclude:: ../../../src/metatensor/models/experimental/pet_jax/hotfix_torch.py
:language: python

Default Hyperparameters
-----------------------
The default hyperparameters for the PET-JAX model are:

.. literalinclude:: ../../../src/metatensor/models/cli/conf/architecture/experimental.pet_jax.yaml
:language: yaml


Tuning Hyperparameters
----------------------
To be done.

References
----------
.. footbibliography::

0 comments on commit ff1377b

Please sign in to comment.