Popular repositories

1. gromacs gromacs Public

   Forked from gromacs/gromacs

   Public/backup repository of the gromacs molecular simulation toolkit

   C++ 2 1

2. software-development software-development Public

   Forked from choderalab/software-development

   A primer on software development best practices for computational chemistry

   2 1

3. regressiontests regressiontests Public

   Forked from gromacs/regressiontests

   Perl 1

4. archer archer Public

   Forked from PRUNERS/archer

   Archer, a data race detection tool for large OpenMP applications

   C

5. gromacs-gmxapi gromacs-gmxapi Public

   Forked from eirrgang/gromacs-gmxapi

   Forked from the canonical GROMACS distribution, this repository supports the latests and greatest features of gmxapi that are not otherwise available.

   C++

6. bioexcel-exascale-co-design-benchmarks bioexcel-exascale-co-design-benchmarks Public

   Forked from bioexcel/bioexcel-exascale-co-design-benchmarks

   Exascale co-design benchmarks and kernels. These either relate to or are extracted from the BioExcel core applications: GROMACS, HADDOCK, and CP2K

   C++