The Modeling suite of toolkits provides the core functionality underlying OpenEye's defining principle that shape & electrostatics are the two fundamental descriptors determining intermolecular interactions.
Many of the toolkits in the Modeling suite are directly associated with specific OpenEye applications and can, therefore be used to create new or extend existing functionality associated with those applications.
Sitehopper, a shape-based, binding site comparison tool is an excellent example of using the Modeling Toolkits to create new methods.
For more detailed information on the Modeling Development Platform, check out the links below:
The OpenEye Toolkit Ecosystem
The Cheminformatics suite of toolkits provides the core foundation upon which all of the OpenEye applications and remaining toolkits are built. The Cheminformatics suite is a collection of seven individual yet interdependent toolkits that are described in the table below.
The Modeling suite of toolkits provides the core functionality underlying OpenEye's defining principle that shape & electrostatics are the two fundamental descriptors determining intermolecular interactions. Many of the toolkits in the Modeling suite are directly associated with specific OpenEye applications and can, therefore be used to create new or extend existing functionality associated with those applications.
In addition to the extensive API documentation provided for each toolkit, we also provide a Python Cookbook containing an ever growing collection of solutions and practical examples for cheminformatics and molecular modeling problems.
To learn more about what others are doing, please visit our Integration Partners page showcasing a wide variety of organizations using OpenEye tools to provide their own custom solutions and services.