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1. CatKit CatKit Public

   General purpose tools for high-throughput catalysis

   Python 99 58

2. CatLearn CatLearn Public

   A machine learning environment for atomic-scale modeling in surface science and catalysis.

   Python 116 68

3. CatHub CatHub Public

   Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.

   Python 34 24

4. catmap catmap Public

   Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening

   Python 113 112

5. Protosearch Protosearch Public

   Software for enumerating crystal structure prototypes and exploring them with active learning

   Python 6 3

6. hori hori Public

   Plotting module for free energy diagrams

   Python 10 2