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!

Contents:

• Installation
• Getting Started