Most of the software worked on by BioExcel have their own upstream source repositories and separate release cycles managed within each software project. BioExcel project snapshots of these are provided below. BioExcel is also developing additional tooling maintained in GitHub at https://github.com/bioexcel
Exascale co-design benchmark cases
BioExcel has extracted four benchmark cases either drawn from or illustrative of key functionality of the core applications GROMACS, HADDOCK, and CP2K and made them available in a form suitable for co-design of the full stack of dependencies they require. These will be useful for e.g. processor design or benchmarking of new hardware. For a detailed description see https://doi.org/10.5281/zenodo.3354707. The official release of the benchmark cases is found there, and any interim updates can be found at https://github.com/bioexcel/bioexcel-exascale-co-design-benchmarks/.
This section lists the BioExcel software releases, which are snapshots of the upstream sources at particular points in time and may not correspond to particular upstream versions. Each part of these releases is covered by separate open source licenses.
Second Software Release (October 2018)
The latest project release is available permanently archived on Zenodo (https://doi.org/10.5281/zenodo.1473685). Here are direct links to the packaged software, collected together as the BioExcel Software Release, and also available for different pilot codes, for your convenience. Note that the BioExcel-Software-Release is the union of the other three downloads.
First Software Release (April 2017)
Here are direct links to the packaged software, collected together as the first BioExcel Software Release, and also available for different pilot codes.
Various other tools (including the workflow blocks biobb), which are under development by the center, can be downloaded from our GitHub repository:
The project release tar-balls above are maintained in GitHub, and are sourced from multiple upstream repositories managed by each software project.
- http://haddocking.com/ (license form required)
- https://github.com/haddocking/haddock-webserver-flask (to be published)
CPMD / MiMiC
- http://www.cpmd.org/download (registration and/or commercial license needed)