.. 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. **Useful Links**: `OpenFE Website `__ | `Example Tutorial notebooks `__ | `Source Repository `__ | `Issues & Ideas `__ .. grid:: 1 2 2 4 :gutter: 3 .. grid-item-card:: :fas:`download` Install openfe :text-align: center :link: installation :link-type: doc Follow our installation guide to get **openfe** running on your machine! .. grid-item-card:: :fas:`laptop-code` CLI :text-align: center :link: reference/cli/index :link-type: doc Documentation for **openfe**\'s simple command line interface. .. grid-item-card:: :fas:`person-chalkboard` Tutorials :text-align: center :link: tutorials/index :link-type: doc Step-by-step examples showing how to use the OpenFE toolkit. .. grid-item-card:: :fas:`book-open-reader` User Guide :text-align: center :link: guide/index :link-type: doc Explanations of key concept underlying the OpenFE toolkit. .. grid-item-card:: :fas:`table-list` Cookbooks :text-align: center :link: cookbook/index :link-type: doc How-to guides for common tasks. .. grid-item-card:: :fas:`code` Python API :text-align: center :link: reference/api/index :link-type: doc Comprehensive details of the **openfe** Python API. .. grid-item-card:: :fas:`gears` Protocols :text-align: center :link: guide/protocols/index :link-type: doc Details of the specific Free Energy Protocols included in **openfe**. .. grid-item-card:: :fas:`clock-rotate-left` Changelog :text-align: center :link: CHANGELOG :link-type: doc A history of **openfe** releases. .. toctree:: :maxdepth: 2 :hidden: installation tutorials/index guide/index cookbook/index reference/index CHANGELOG Indices and tables ------------------ * :ref:`genindex` * :ref:`modindex` * :ref:`search`