bokehmol, gotta plot them mol! ⌬

bokehmol provides custom extensions that help plotting molecules with the Bokeh library.

It currently provides hover tools that can depict molecules on-the-fly using SMILES: no need to pre-generate the depictions and store them in memory anymore! Everything is rendered client-side in the browser so you don't even need to install rdkit in your Python environment.

Installation

Bokehmol only requires bokeh as a dependency. You can install it with:

pip install bokehmol

Notebooks

Some examples on how to use the library here

Discussions

Feature requests or questions on how to use should be posted here

Issues

Bug tracker 🐞