MDAKits and MDA-based tools

MDAnalysis is developed with extensibility in mind, allowing scientists to create various tools with the components that the library provides. To help developers in this process, and to advertise these wonderful tools to the MDAnalysis user community, we have created an ecosystem of MDAnalysis Toolkits, or “MDAKits”.


Please look at the registry of MDAKits for a list of toolkits that meet the minimum MDAKit requirements. These are regularly tested against the latest and development versions of MDAnalysis. Whilst we cannot guarantee the completeness of the MDAKit’s test coverage, if you see a green badge, the code should be minimally behaving as the MDAKit authors intended it!

If you have your own MDAKit and you would like to add it to the registry, please look at the contribution instructions or share it on GitHub Discussions!

Other (non-MDAKit registered) tools using MDAnalysis

Below we list projects that use MDAnalysis and are not registered as MDAKits:

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.