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@SUNCAT-Center

SUNCAT-Center

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  1. CatKit CatKit Public

    General purpose tools for high-throughput catalysis

    Python 105 60

  2. CatLearn CatLearn Public

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

    Python 122 70

  3. CatHub CatHub Public

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

    Python 37 26

  4. catmap catmap Public

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

    Python 128 117

  5. Protosearch Protosearch Public

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

    Python 7 3

  6. hori hori Public

    Plotting module for free energy diagrams

    Python 10 3

Repositories

Showing 10 of 11 repositories
  • 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 3 MIT 1 0 0 Updated Aug 29, 2026
  • HybridPB Public
    SUNCAT-Center/HybridPB's past year of commit activity
    Python 0 1 0 0 Updated Aug 28, 2026
  • 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 37 GPL-3.0 26 5 3 Updated Aug 18, 2026
  • 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 1 MIT 2 0 0 Updated Jul 24, 2026
  • CatDegUS Public

    Python module for Catalysts' Degradation navigated by US

    SUNCAT-Center/CatDegUS's past year of commit activity
    Jupyter Notebook 0 MIT 2 0 0 Updated Jun 20, 2026
  • CatKit Public

    General purpose tools for high-throughput catalysis

    SUNCAT-Center/CatKit's past year of commit activity
    Python 105 GPL-3.0 60 9 6 Updated May 20, 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 128 GPL-3.0 117 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 122 GPL-3.0 70 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 7 3 1 1 Updated Feb 21, 2024
  • AtomicStructureGenerator Public

    This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.

    SUNCAT-Center/AtomicStructureGenerator's past year of commit activity
    Python 19 5 0 0 Updated Feb 7, 2019
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