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@SUNCAT-Center

SUNCAT-Center

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  1. CatKit CatKit Public

    General purpose tools for high-throughput catalysis

    Python 85 51

  2. CatLearn CatLearn Public

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

    Python 102 61

  3. CatHub CatHub Public

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

    Python 25 13

  4. catmap catmap Public

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

    Python 96 104

  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 9 2

Repositories

Showing 9 of 9 repositories
  • CatalysisHubFrontend Public

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

    SUNCAT-Center/CatalysisHubFrontend’s past year of commit activity
    JavaScript 5 MIT 14 0 12 Updated Oct 31, 2024
  • CatalysisHubBackend Public

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

    SUNCAT-Center/CatalysisHubBackend’s past year of commit activity
    Python 12 GPL-3.0 10 0 4 Updated Oct 30, 2024
  • 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 96 GPL-3.0 104 47 1 Updated Oct 8, 2024
  • 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 25 GPL-3.0 13 2 0 Updated Jul 25, 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 102 GPL-3.0 61 9 (1 issue needs help) 2 Updated Jun 28, 2024
  • CatKit Public

    General purpose tools for high-throughput catalysis

    SUNCAT-Center/CatKit’s past year of commit activity
    Python 85 GPL-3.0 51 9 4 Updated Jun 27, 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
  • 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 18 5 0 0 Updated Feb 7, 2019
  • hori Public

    Plotting module for free energy diagrams

    SUNCAT-Center/hori’s past year of commit activity
    Python 9 2 0 0 Updated Nov 7, 2016

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