MolCube, Inc. is an enterprise startup seeking to deliver products and/or services through software based on innovative molecular modeling and simulation technologies. The software products (MolCube-Builder, MolCube-Simulator, and MolCube-Analyzer) will be annually licensed to pharmaceutical, biotechnology, and nanotechnology companies for molecular modeling and simulation of complex biological and nanomaterial systems, as well as for computer-aided drug discovery. 

MolCube is founded by the core developers of CHARMM-GUI that the research team led by Dr. Wonpil Im at Lehigh University has developed since 2006 to provide a range of functionality in preparing realistic simulation systems and supporting diverse MD engines with various force fields. However, the code base of CHARMM-GUI has difficult licensing issues for commercial use, so MolCube is developing MolCube-Builder from scratch. Therefore, MolCube-Builder does not require any commercial third-party software and will be available as a web server or can be installed locally or in your cloud system.