Jupyter Notebooks

Jupyter Notebooks

Jupyter Notebooks

A Powerful Tool for Learning and Sharing

Jupyter Notebooks provide a powerful way to learn use and share the OpenEye Toolkits directly in a browser. A Notebook can contain live code, data, depictions of molecules, mathematical expressions, plots of data, interactive widgets and much more. Because they can be easily sent as a link or document, Jupyter Notebooks present a new way for sharing examples, methods, or analyses where the code that generated it can easily live side-by-side with the figures, equations, and conclusions. The code is grouped into cells, which can be executed at any time, meaning it's easy to go back, change a small portion of some complex code, and observe the results. 

OENotebook is a small helper library to facilitate using the OpenEye Toolkits inside a Jupyter Notebook. It contains functions to assist in generating depictions, working with tables of molecular data, and creating interactive plots of molecular data. It's freely available and only depends on licensing of any underlying OpenEye Toolkits which are utilized. 

Jupyter Notebooks have transformed the way we use the OpenEye Toolkits internally and are changing our training materials and examples. We continue to add more functionality to OENotebooks to make using Toolkits easier. 

For more examples of novice, intermediate and advanced Jupyter Notebooks, click on the link below:

 Jupyter Examples   

Notebooks facilitate exploring and visualizing molecular data.

Combining code, graphs, and explanatory text and equations make notebooks a powerful tool for communicating science.