[1] It develops large-scale molecular modelling applications and toolkits.

[2][1] Primarily geared towards drug discovery and design, areas of application include conformation generation, docking, shape comparison, charge/electrostatics, cheminformatics and visualization.

The software is designed for scientific rigor, as well as speed, scalability and platform independence.

OpenEye makes much of its technology available as toolkits suitable for custom development.

[citation needed] Programming libraries providing wider applications with object-oriented accessibility to a given set of capabilities ( see also documentation).