SMARTpy Documentation ====================== *What is SMARTpy?* Spatial Molding for Approchable Rigid Targets (SMART) is a package of molecular descriptors of open-faced cavity features, including volume entry surface area, and shape of an active catalyst site. These descriptors can be used for QSSR, MLR, cheminformatics, and more. .. note:: This site is currently under construction, please see the GitHub for basic usage in the meantime! .. toctree:: :maxdepth: 2 :caption: Contents: Installation Getting_Started