/tools/CatKit
CatKit
SUNCAT-Center/CatKit
102 stars59 forksPythonAdded February 4, 2026
summary
CatKit is a collection of computational tools aimed at facilitating research in catalysis. It includes modules for generating various catalytic structures and automating workflows, making it useful for researchers in the field of molecular catalysis.
description
General purpose tools for high-throughput catalysis
topics
catalystmaterials-informaticscomputational-chemistrychemical-reaction-networkschemical-kineticscombinatoricschemical-engineeringmaterials-sciencecatalysis-informatics
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