PROGRAMMING LIBRARY FOR CHEMISTRY AND CHEMINFORMATICS
OEChem TK is a programming library for chemistry and cheminformatics that is fast and flexible. OEChem TK has many simple yet powerful functions that handle the details of working with small molecules, as well as an expanding number of functions for dealing with proteins. High-level functions provide simplicity while low-level functions provide flexibility.
The OEChem TK also includes two sub-libraries designed to handle macromolecules (OEBio) and grids (OEGrid).