.. 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 :img-top: _static/API.svg :text-align: center :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/index :link-type: doc Reference guide on using the OpenFE CLI. .. 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:: 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 CHANGELOG Indices and tables ------------------ * :ref:`genindex` * :ref:`modindex` * :ref:`search`