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@SUNCAT-Center

SUNCAT-Center

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  1. CatKit Public

    General purpose tools for high-throughput catalysis

    Python 91 53

  2. CatLearn Public

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

    Python 108 64

  3. CatHub Public

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

    Python 28 16

  4. catmap Public

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

    Python 101 108

  5. Protosearch Public

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

    Python 6 3

  6. 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

    JavaScript 5 MIT 14 0 12 Updated Jan 30, 2025
  • CatalysisHubBackend Public

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

    Python 12 GPL-3.0 10 0 4 Updated Jan 30, 2025
  • catmap Public

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

    Python 101 GPL-3.0 108 47 4 Updated Oct 8, 2024
  • CatHub Public

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

    Python 28 GPL-3.0 16 2 0 Updated Jul 25, 2024
  • CatLearn Public

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

    Python 108 GPL-3.0 64 9 (1 issue needs help) 2 Updated Jun 28, 2024
  • CatKit Public

    General purpose tools for high-throughput catalysis

    Python 91 GPL-3.0 53 9 4 Updated Jun 27, 2024
  • Protosearch Public

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

    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.

    Python 18 5 0 0 Updated Feb 7, 2019
  • hori Public

    Plotting module for free energy diagrams

    Python 9 2 0 0 Updated Nov 7, 2016

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