.. template taken from SciPy who took it from Pandas (keep the chain going)
.. module:: openfe
====================================
Welcome to the OpenFE documentation!
====================================
**Useful Links**:
`OpenFE Website `__ |
`Example Tutorial notebooks `__ |
`Source Repository `__ |
`Issues & Ideas `__
The **OpenFE** toolkit provides open-source frameworks for calculating alchemical free energies.
.. grid:: 1 2 3 4
:gutter: 3
.. grid-item-card:: Installing OpenFE
:img-top: _static/Download.svg
:text-align: center
:link: installation
:link-type: doc
New to *OpenFE*? Check out our installation guide to get it working on your machine!
.. grid-item-card:: Tutorials
:img-top: _static/Tutorial.svg
:text-align: center
:link: tutorials/index
:link-type: doc
Worked through examples of how to use the OpenFE toolkit.
.. grid-item-card:: User Guide
:img-top: _static/UserGuide.svg
:text-align: center
:link: guide/index
:link-type: doc
Learn about the underlying concepts of the OpenFE toolkit.
.. grid-item-card:: API Reference
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:link: reference/index
:link-type: doc
Get details on the toolkit's core methods and classes.
.. grid-item-card:: Cookbook
:img-top: _static/Cookbook.svg
:text-align: center
:link: cookbook/index
:link-type: doc
How-to guides on how to utilise the toolkit components.
.. grid-item-card:: Using the CLI
:img-top: _static/CLI.svg
:text-align: center
:link: guide/cli
:link-type: doc
Reference guide on using the OpenFE CLI.
.. grid-item-card:: OpenFE Showcase
:img-top: _static/Showcase.svg
:text-align: center
:link: tutorials/showcase_notebook
:link-type: doc
Tutorial notebook showing the sorts of things OpenFE can do.
.. grid-item-card:: Relative Free Energy Protocol
:img-top: _static/Rocket.svg
:text-align: center
:link: reference/api/openmm_rfe
:link-type: doc
Documentation for OpenFE's OpenMM-based Hybrid Topology Relative Free
Energy Protocol.
.. toctree::
:maxdepth: 2
:hidden:
installation
tutorials/index
guide/index
cookbook/index
reference/index
Indices and tables
------------------
* :ref:`genindex`
* :ref:`modindex`
* :ref:`search`