Materials from the Intro to the RDKit tutorial at AIDD 2021
OTHER License
A whirlwind intro to some RDKit basics with a healthy dose of reactions at the end
Materials for my presentation on molecular standardization as part of the RSC OpenScience worksho...
RDKit blog
RDKit related blog posts, notebooks, and data.
"Hacking Dask" tutorial materials
Notebooks for the SciPy 2017 tutorial "The Jupyter Interactive Widget Ecosystem"
Variational Quantum Eigensolver (VQE) from scratch on molecular hydrogen
Example of how to use R in Jupyter notebooks and make compatible with Binder
Getting started with GESIS Notebooks
Repository for the SCS Spring School on Digital Chemistry
🧮 An introduction to NetCDF