OPSIN

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

Wrapper for RDKit's RunReactants to improve stereochemistry handling

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

Webapp for generating conformers

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