OSSCAR Jupyter widgets, JupyterLab extensions and other tools#
We have developed custom Jupyter widgets which facilitate a number of tasks typically carried out in computational chemistry and physics. All of these widgets are compatible with JupyterLab >= 4.x (Notebook 7) and were revised in 2024 to make use of the anywidget framework. In addition to interactive widgets, we have also developed JupyterLab extensions, which can improve a user’s development experience.
Jupyter widgets#
A Jupyter widget for an interactive periodic table.
![../_images/widget_periodictable.png](../_images/widget_periodictable.png)
A Jupyter widget to plot bandstructures and density of states.
![../_images/widget_bandsplot.png](../_images/widget_bandsplot.png)
A Jupyter widget to plot the 1st Brillouin zone and path for the band structure.
![../_images/widget_bzvisualizer.png](../_images/widget_bzvisualizer.png)
A widget to allow input of a python function, with syntax highlighting.
![../_images/widget_code_input.png](../_images/widget_code_input.png)
JupyterLab extensions#
A JupyterLab extension to run and hide all codecells.
![../_images/hide-input.gif](../_images/hide-input.gif)
A JupyterLab launcher extension to visualize Gaussian cube files.
![../_images/mol-visualizer.gif](../_images/mol-visualizer.gif)
Other tools#
A collection of tools to render molecular structures into high quality images or videos using the POVRAY engine.
![../_images/electrostatic_colormap1.png](../_images/electrostatic_colormap1.png)
A Jupyter widget to use Jmol/Jsmol.
![../_images/widget_jsmol.png](../_images/widget_jsmol.png)