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@SUNCAT-Center

SUNCAT-Center

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  1. CatKit CatKit Public

    General purpose tools for high-throughput catalysis

    Python 98 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 23

  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

Repositories

Showing 10 of 12 repositories
  • CatHub Public

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

    SUNCAT-Center/CatHub’s past year of commit activity
    Python 34 GPL-3.0 23 2 1 Updated Dec 3, 2025
  • CatalysisHubBackend Public

    Backend for the Catalysis-hub database build with Flask, GraphQL and SQLAlchemy

    SUNCAT-Center/CatalysisHubBackend’s past year of commit activity
    Python 13 GPL-3.0 11 0 4 Updated Nov 24, 2025
  • CatDegUS Public

    Python module for Catalysts' Degradation navigated by US

    SUNCAT-Center/CatDegUS’s past year of commit activity
    Jupyter Notebook 0 MIT 1 0 0 Updated Nov 21, 2025
  • PyCatRobin Public

    PyCatRobin: Python module to analyze time-on-stream Catalyst testing results from Round Robin test

    SUNCAT-Center/PyCatRobin’s past year of commit activity
    Python 0 MIT 1 0 0 Updated Nov 21, 2025
  • AutoCatLab Public

    Python library which seamlessly perform high-throughput DFT + ICOHP calculations along with all data analysis which is config Driven

    SUNCAT-Center/AutoCatLab’s past year of commit activity
    Python 0 0 0 0 Updated Aug 26, 2025
  • CatKit Public

    General purpose tools for high-throughput catalysis

    SUNCAT-Center/CatKit’s past year of commit activity
    Python 98 GPL-3.0 58 9 5 Updated May 20, 2025
  • CatalysisHubFrontend Public

    A react front-end to the Catalysis-Hub.Org database

    SUNCAT-Center/CatalysisHubFrontend’s past year of commit activity
    JavaScript 5 MIT 15 0 12 Updated May 14, 2025
  • catmap Public

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

    SUNCAT-Center/catmap’s past year of commit activity
    Python 113 GPL-3.0 112 48 4 Updated Oct 8, 2024
  • CatLearn Public

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

    SUNCAT-Center/CatLearn’s past year of commit activity
    Python 116 GPL-3.0 68 9 (1 issue needs help) 2 Updated Jun 28, 2024
  • Protosearch Public

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

    SUNCAT-Center/Protosearch’s past year of commit activity
    Python 6 3 1 1 Updated Feb 21, 2024
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