Third project release of BioExcel core applications

This deposition contains the source code of the BioExcel Work Package 1 software releases, made at the same time as the submission of deliverable 1.4 on October 24, 2020. This is the third such release from the BioExcel consortium. It contains versions of software from project-specific repositories for GROMACS, PMX, HADDOCK, and CP2K/GROMACS QM/MM team of Work Package 1. Its contents, including details of where to get the current versions of the software packages from their project teams are described in detail in the associated deliverable report (Zenodo link to the report will be added when ready).

The four components of this release are available separately at the following Zenodo links:

gromacs-2020.2.tar.gz

HADDOCK v3.0.alpha2

D1.4 release of BioExcel QM/MM Benchmark Suite

D1.4 release of PMX