BioExcel has a clear commitment to open source but respects the existing licensing schemes applied to widely used codes and the requirements of industrial users or ISVs for more restrictive licensing schemes. All newly developed code will be available under a CC-BY type of license.


GROMACS is Free Software, available under the GNU Lesser General Public License (LGPL), version 2.1. You can redistribute it and/or modify it under the terms of the LGPL as published by the Free Software Foundation; either version 2.1 of the License, or (at your option) any later version.


HADDOCK software consists of a collection of python and CNS scripts, as well as other scripts and programs (csh, awk, perl, c++). The HADDOCK distribution can be obtained free of charge for non commercial users by completing and returning (via email) the license agreement form to You can find more details on the HADDOCK licensing page.

HADDOCK web server access is free for non-profit users upon registration.


The current version of CPMD, 4.1, is copyrighted jointly by IBM Corp and by Max Planck Institute, Stuttgart, and is distributed free of charge to non-profit organisations and non-commercial users by accepting the license terms and registering on the CPMD website. Profit organizations interested at the code should contact the CPMD consortium at

In order to run CPMD in the fully hamiltonian hybrid QM/MM mode, additional routines are needed that are not included in the standard CPMD release. To use these routines a Gromos96 license is required and can be obtained by contacting the CPMD developers at