Warning
Results generated using this code have not undergone thorough validation. 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.
The documentation is currently under development. Thank you for your patience.
You can find examples in the examples directory of this repository:
- Traditional (Single Descriptor) Builder.
- (In progress) Adaptive Builder
cat-scaling is licensed under the MIT license