pyXem builds heavily on the tools for multi-dimensional data analysis provided by the HyperSpy library and draws on DiffPy for atomic structure manipulation.

pyXem is released under the GPL v3 license.

If analysis using pyxem forms a part of published work please consider recognising the code development by citing the github repository www.github.com/pyxem/pyXem.

pyXem requires python 3 and conda - we suggest using the python 3 version of Miniconda. and creating a new environment for pyxem using the following commands in the anaconda prompt::

$ conda create -n pyxem
$ conda activate pyxem

Download the source code and put it in a directory on your computer. The following commands will then install everything you need if entered into the anaconda promt (or terminal) when located in the pyxem directory::

$ conda install -c conda-forge diffpy.structure
$ conda install -c anaconda cython
$ conda install -c conda-forge spglib
$ conda install -c conda-forge traits
$ pip install . -r requirements.txt

To get started using pyxem, especially if you are unfamiliar with python, we recommend using jupyter notebooks. Having installed pyxem as above, a jupyter notebook can be opened using the following commands entered into an anaconda prompt or terminal::

$ conda activate pyxem
$ jupyter notebook

Tutorials and Example Workflows have been curated as a series of jupyter notebooks that you can work through and modify to perform many common analyses.

Documentation is available via the website.