Cookiecutter for Computational Molecular Sciences
Others
Python-centric Cookiecutter for Molecular Computational Chemistry Packages by [MolSSL](https://molssi.org/)
- Repository
- github.com/molssi/cookiecutter-cms
Source attribution
- Awesome Cheminformatics — github.com/molssi/cookiecutter-cms
Related resources
The eiR package provides utilities for accelerated structure similarity searching of very large small molecule data sets using an embedding and indexing approach.
an automated workflow for the generation and storage of DFT calculations for organic molecules.