I have been working a lot in Jupyter notebooks; however, as a coding environment, it lacks many of the bells and whistles that you get with an IDE. With the latest version of the VSCode Python plugin, you work directly with the Jupyter Notebook from within the IDE. The extension provides Intellisene support and the ability to run the Python code within the page. For example, here is the previous code I used to demonstrate RDKit running in my Jupyter…
The Jupyter Notebook is an open-source web application that allows the creation and sharing of documents that can contain embedded Python code, and, data visualizations in SVG (Scalable Vector Graphics), and text. When analyzing data that has an associated molecular structure, it would be useful to visualize the structure within the current Jupyter notebook page rather than finding the record in the dataset and copy/pasting the raw structure format into another application. RDKit is an open source cheminformatics software toolkit…