Methods for selecting diverse subset from molecular datasets.
Template adapted from
- https://github.com/MolSSI/cookiecutter-cms
- https://github.com/theochem/iodata
- https://github.com/theochem/DiverseSelector
Contribution guidelines are listed in How to contribute.
Please note that this package is under active development and the API is subject to change.