We are happy to announce our new official partnership with the Molecular Sciences Software Institute (MolSSI). MolSSI serves as a nexus for science, education, and cooperation serving the worldwide community of computational molecular scientists. The Institute supports advances in software infrastructure, education, standards, and best-practices that are needed to enable […]
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.
Do you want to join BioExcel as a researcher working with GROMACS? We have an open position right now. Deadline for application – June 16th. As part of this center, we seek a researcher who will work with development of algorithms, programs and computational techniques focused on molecular dynamics, in […]
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 […]