Tutorials
=========

.. todo: make sure we can inline the tutorial, for now we only provide links

OpenFE has several tutorial notebooks which are maintained on our
`Example Notebooks repository <https://github.com/OpenFreeEnergy/ExampleNotebooks>`_.
For new users, we recommend the following two:


Relative Free Energies CLI tutorial
-----------------------------------

The :any:`Relative Free Energies with the OpenFE CLI <rbfe_cli_tutorial>`
tutorial walks users through how to use the OpenFE command line to calculate
relative binding free energies of various ligands against the TYK2 target.

Associated with it is also a :any:`notebook <rbfe_python_tutorial>`
for how to achieve the same outcomes using the Python API.

Python API Showcase
-------------------

Our :any:`showcase notebook <showcase_notebook>`
walks users through how to use the main components of OpenFE to create a
relative binding free energy calculation.


.. toctree::
    :maxdepth: 1
    :hidden:

    rbfe_cli_tutorial
    rbfe_python_tutorial
    showcase_notebook