We completed the production of our new introductory video “Presenting BioExcel: A central hub for biomolecular modelling and simulations “! Learn about our center in just a few minutes! Kudos to Apostolos Vasileiadis from Third Pända Film for the great production! Check out his work Facebook, Twitter, Instagram and Vimeo.
BioExcel partners at the Institute for Research in Biomedicine IRB in Barcelona unravel the mechanisms for enzyme regulation by using advanced techniques for enhanced sampling and free energy calculations. When one is managing a large-scale operation in which any misstep can lead to a catastrophe, it is only natural that […]
The first project releases of the supported codes are out! You can find all the packages here: http://bioexcel.eu/software/code-repositories. All BioExcel-supported new modules are offered under a suitable free open-source license: Lesser GNU General Public License, versions 2.1 (GROMACS and CPMD QM/MM), version 3 (pmx) and either the Apache 2.0 or […]
COMPSs programming model is one of the workflow managers that are being developed and provided to the communities by BioExcel CoE. It powers GUIDANCE, a pipeline for large scale genetic studies, by parallelizing it at task level and enabling it to run in distributed computing platforms. The computational needs around […]
BioExcel is pleased to announce today that it has entered partnership with ELIXIR. Background information BioExcel CoE provides the necessary solutions for long-term support of the biomolecular research communities in academia and industry: fast and scalable software, user-friendly automation workflows and a support base of expert core developers. The main […]
Hi GROMACS users, The official release of GROMACS 2016.3 is available! This release fixes several issues found since 2016.2, including mdrun hanging at the end of a run with separate PME ranks, and incorporates all the fixes found in the 5.1.4 release, and a few since. We encourage all users […]