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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 coexists in one document, it finally provides a tool, and an incentive, for researchers to share their research, beyond words and few tables, leading to a more open and transparent science.
An easy example of Jupyter integration in the article can be located in Fig.\ref{137913} . "Executable Figures" are indicated by the </>Code
icon its top-left side. We can do R
too!