cat-scaling

Build Catalysts Adsorption Energy Scaling Relations


Keywords
catalysts, adsorption-energy, scaling-relations, dimensionality-reduction, volcano-plot
License
Other
Install
pip install cat-scaling==2024.3.1b0

Documentation

cat-scaling - Build Scaling Relations for Catalysts

codecov

Warning

Results generated using this code have not undergone thorough validation.
Any assistance in verifying the results would be greatly appreciated.

Warning

This project is currently in its initial stages and is being actively updated.
Various parts might be missing, and frequent (breaking) changes are expected.

cat-scaling is a handy package for building catalysts scaling relations and visualizing the results with volcano plots.

Documentation

The documentation is currently under development. Thank you for your patience.

Example

You can find examples in the examples directory of this repository:

License

cat-scaling is licensed under the MIT license