confgen

The eiR package provides utilities for accelerated structure similarity searching of very large small molecule data sets using an embedding and indexing approach.

Open Parser for Systematic IUPAC nomenclature

Python-centric Cookiecutter for Molecular Computational Chemistry Packages by [MolSSL](https://molssi.org/)

an automated workflow for the generation and storage of DFT calculations for organic molecules.

Wrapper for RDKit's RunReactants to improve stereochemistry handling