Prior to development, it is necessary to have Python installed alongside a Jupyter environment. We recommend the usage of JupyterLab, which has a superior GUI than a standard Jupyter notebook. Read more about JupyterLab by following the link below:
In the OSSCAR project, we rely primarily on Jupyter widgets for interactivity. It is crucial to know how to implement these widgets in your notebooks.
After understanding the usage of widgets, it is time to prepare the notebook. Here we give two examples that shall help you understand how we prepare the notebooks.
The following is a more complex example which has particular relevance to the fields of computational chemistry and physics.
After preparing the notebooks, we use the program Voila to convert them into web applications. We also outline three different deployment methods for the web applications.
If you wish to develop notebooks specifically for the OSSCAR project, you may read more about how to do so in the “how to contribute” page.
Specifically, you may wish to download the example template notebook which contains an outline of the standardized notebook format employed in OSSCAR along with a discussion of the motivation for these design choices.