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@SUNCAT-Center

SUNCAT-Center

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  1. CatKit CatKit Public

    General purpose tools for high-throughput catalysis

    Python 82 50

  2. CatLearn CatLearn Public

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

    Python 98 61

  3. CatHub CatHub Public

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

    Python 25 12

  4. catmap catmap Public

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

    Python 90 101

  5. Protosearch Protosearch Public

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

    Python 4 3

  6. hori hori Public

    Plotting module for free energy diagrams

    Python 8 3

Repositories

Showing 9 of 9 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 25 GPL-3.0 12 2 1 Updated Jul 1, 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 98 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 82 GPL-3.0 50 9 4 Updated Jun 27, 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 90 GPL-3.0 101 44 0 Updated Jun 25, 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 4 3 1 1 Updated Feb 21, 2024
  • 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 Feb 10, 2023
  • 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 Jan 13, 2023
  • 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 15 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 8 3 0 0 Updated Nov 7, 2016

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