This page lists the tools for Jupyter and JupyterLab developed within the scope of the OSSCAR project.
For additional widgets (also in development) you can connect directly to the OSSCAR GitHub page.
We also provide documentation on how to use the tools and technologies developed in OSSCAR.
Installation: pip install widget_jsmol
This is a jupyter widget which shows an interactive periodic table inside a jupyter/JupyterLab notebook. The elements can be selected, and the list of selected elements can be retrieved in python through callback functions. One can also disable selected elements in the periodic table.
Installation: pip install widget_periodictable
This is a widget which allows users to implement small python functions dynamically and interactively. It uses the codemirror library to create the input area. The goal of this widget is to let students implement functions that can be given by tutors as assignments. The function becomes an actual python function that can be immediately run (and that it is run in a sandboxed environment, without access to the jupyter notebook global variables). It is also possible to select a custom code theme. This widget is particularly useful in combination with AppMode and/or voila.
Installation: pip install widget_code_input
This is a JupyterLab extension, which runs and hides all code cells of a given notebook. It shows as a button on the panelbar. It is useful to quickly show the notebooks with only the output results, like the output rendered by AppMode and voila, but it does not need to reload the notebook, so it’s very convenient for development.
Installation: jupyter labextension install @osscar/jupyterlab-hide-code
This is our custom Voila template for the OSSCAR project. The template gives a custom appearance for the rendered notebooks. It presents the OSSCAR logo at the header and the footer. There is a button at top right corner, which shows how busy the jupyter kernel. We use this template to decorate our web applications.
Installation: pip install voila-osscar-template
Molecular rendering by POVRAY
These are tools to render molecular structures into high quality images or videos by using the POVRAY engine. It supports plotting molecular structures, isosurfaces, and isosurfaces with colormap.