.. template taken from SciPy who took it from Pandas (keep the chain going)
.. module:: openfe
====================================
Welcome to the OpenFE documentation!
====================================
The **OpenFE** toolkit provides a free and open-source framework for alchemical free energy calculations.
Using this toolkit you can plan, execute and analyse free energy calculations using a variety of methods.
The Documentation serves as a rapid initiation, offering a brief overview of the software,
including an introduction to the OpenFE Showcase and installation instructions.
For a more in-depth understanding,
the Tutorials illustrate the application of the package,
while the User Guide describe the theoretical framework and structure of the package.
The Cookbook supplies snippets of code for various minor tasks,
and lastly, the API Reference provides a direct technical explanation of our code.
**Useful Links**:
`OpenFE Website `__ |
`Example Tutorial notebooks `__ |
`Source Repository `__ |
`Issues & Ideas `__
.. grid:: 1 2 3 4
:gutter: 3
.. grid-item-card:: Try it out
:img-top: _static/Rocket.svg
:text-align: center
:link: http://try.openfree.energy
:link-type: url
New to *OpenFE*? Start here and try it from your browser
.. grid-item-card:: Installing OpenFE
:img-top: _static/Download.svg
:text-align: center
:link: installation
:link-type: doc
Check out our installation guide to get it working on your machine!
.. grid-item-card:: Available Protocols
:img-top: _static/CLI.svg
:text-align: center
:link: guide/protocols/index
:link-type: doc
Documentation on available methods included in the openfe package
.. grid-item-card:: Changelog
:img-top: _static/Showcase.svg
:text-align: center
:link: CHANGELOG
:link-type: doc
Any notable changes in the package for each released version
.. 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
Explanations of the underlying concepts behind the OpenFE toolkit
.. grid-item-card:: Cookbook
:img-top: _static/Cookbook.svg
:text-align: center
:link: cookbook/index
:link-type: doc
How-to guides for toolkit components
.. grid-item-card:: API Reference
:img-top: _static/API.svg
:text-align: center
:link: reference/index
:link-type: doc
Technical details on the toolkit's core methods and classes
.. toctree::
:maxdepth: 2
:hidden:
installation
tutorials/index
guide/index
cookbook/index
reference/index
CHANGELOG
Indices and tables
------------------
* :ref:`genindex`
* :ref:`modindex`
* :ref:`search`