The package is pure Python and one can directly install the MDAnalysisData package from the Python Package Index (PyPi) with pip:

pip install --upgrade MDAnalysisData

Alternatively, you can also install it with the conda package manager:

conda config --add channels conda-forge
conda install mdanalysisdata

and to upgrade later

conda update mdanalysis


The package itself is small and initially does not install any datasets. However, the data directory, where datasets are cached, can grow to many gigabytes.

Installing from source

Clone the repository with

git clone

and install with pip

pip install MDAnalysisData/