Used By

While our documentation is mostly focused on using MDAnalysis for exploratory analysis it is equally well suited to build your own analysis library on top of it. Below is a list of projects we know about that use MDAnalysis.

If you know of other tools that use MDAnalysis please share them with us on Twitter or on our mailinglist so that we can include them here or open a pull request by editing the file

Visualization tools

Analysis tools

Molecular modeling tools

Simulation packages


MDAnalysis is included in NMRBox a distribution of common software to analyze NMR measurements.

Some generic distributions such as MacPorts: py-MDAnalysis (macOS), Fedora: python-MDAnalysis and archlinux: python-mdanalysis (Linux) maintain packages of MDAnalysis.