Quickly generate, start and analyze benchmarks for your molecular dynamics simulations.


Info: This package contains files in non-standard labels.

conda install

  • linux-64  v2.0.1
  • osx-64  v2.0.1
To install this package with conda run one of the following:
conda install -c conda-forge mdbenchmark
conda install -c conda-forge/label/cf201901 mdbenchmark
conda install -c conda-forge/label/cf202003 mdbenchmark
conda install -c conda-forge/label/prerelease-mdbenchmark mdbenchmark


MDBenchmark is a tool to squeeze the maximum out of your limited computing resources. It tries to make it as easy as possible to set up systems on varying numbers of nodes and compare their performances to each other. You can also create a plot to get a quick overview of the possible performance (and show of to your friends)! The plot below shows the performance of an molecular dynamics system on up to five nodes with and without GPUs.

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