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Project Summary

Analyzed 15 days ago. based on code collected 15 days ago.

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.

It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded interactions, but but thanks to its speed, many groups also use it for research on non-biological systems, e.g. polymers.

Speed is one of the key features that makes GROMACS particularly attractive. Thanks to the strong emphasis on bottom-up performance tuning: hand-tuned CPU SIMD kernels are available for most CPU architectures, CUDA-based GPU acceleration together with efficient multi-threading and neutral-territory domain-decomposition with MPI SPMD parallelization is supported.


In a Nutshell, GROMACS...


30 Day Summary

Aug 11 2016 — Sep 10 2016

12 Month Summary

Sep 10 2015 — Sep 10 2016
  • 692 Commits
    Down -29 (4%) from previous 12 months
  • 30 Contributors
    Up + 1 (3%) from previous 12 months