Utilities and notebooks to pre-process molecular libraries (e.g. ZINC, NIST20, PubChem, ChemSpider)
Currently there is a notebook exploring a ZINC subset.
Generated reusable python files for use in exploration of similar datasets from other sources.
The goal of this is to create a repostiroy of tools I use to wrangle data that is not covered from existing libraries (e.g. rdkit)