The Jupyter notebook is an interactive Python programming environment in a web browser. It allows you to write code and see graphical results in the same window. The near-future article in Computational Chemistry will allow to embed Python code in the article so that they can be checked, modified and run by the readers. Data and code should be more closely integrated with the scientific article, and this is a limited but important first step in that direction. Static PDF’s, or full-text HTMLs, loose the important link between textual narrative and algorithm. When textual narrative and executable code coex