Instructions from Sarath how to setup pyiron environment: Dear All, I have attached an environment file based on the binder setup for pyiron_atomistics as Sudarsan suggested. I also added calphy, so everything should work. You can use the following commands: conda env create -f env.yml conda activate workshop python -m ipykernel install --user --name workshop Now the workshop should appear as a kernel in the jupyterlab. Hopefully everything works well.