Build Catalysts Adsorption Energy Scaling Relations
Project description
cat-scaling - Build Scaling Relations for Catalysts
[!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:
-
(In progress)Adaptive Builder
License
cat-scaling is licensed under the MIT license
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