Szybki TK is a general purpose optimizer offering both high-level algorithms for structure optimization against MMFF94 and low-level functions that provide flexibility for dealing with arbitrary functions and coordinate frames. The MMFF94 optimization features are also available in the SZYBKI application - see SZYBKI product sheet for details.
For more detailed information on Szybki TK, 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.
