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@snurr-group

Snurr Research Group

We are researching how nanoporous materials can (help to) save the world.

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  1. mofid mofid Public

    A system for rapid identification and analysis of metal-organic frameworks

    C++ 47 24

  2. gRASPA gRASPA Public

    GPU Monte Carlo Simulation Code with a taste of RASPA

    C++ 38 6

  3. pacmof pacmof Public

    Forked from arung-northwestern/pacmof

    PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic frameworks.

    Python 14 3

  4. 2D-energy-histogram 2D-energy-histogram Public

    R implementation of machine learning using 2D energy histogram features for prediction of adsorption capacity

    C++ 8 1

  5. web-mofid web-mofid Public

    Hosting the MOFid website -- update via `make github-web` in https://github.com/snurr-group/mofid

    JavaScript 7 1

  6. mofdb mofdb Public

    Chemoinformatics database for Metal Oraganic Frameworks ~5Millions rows. Comprehensive API and database format.

    Ruby 4 2

Repositories

Showing 10 of 26 repositories
  • gRASPA Public

    GPU Monte Carlo Simulation Code with a taste of RASPA

    snurr-group/gRASPA’s past year of commit activity
    C++ 38 MIT 6 2 0 Updated Dec 12, 2024
  • mofid Public

    A system for rapid identification and analysis of metal-organic frameworks

    snurr-group/mofid’s past year of commit activity
    C++ 47 GPL-2.0 24 9 0 Updated Dec 5, 2024
  • pacmof2 Public
    snurr-group/pacmof2’s past year of commit activity
    Python 2 MIT 0 0 0 Updated Oct 4, 2024
  • mofdb Public

    Chemoinformatics database for Metal Oraganic Frameworks ~5Millions rows. Comprehensive API and database format.

    snurr-group/mofdb’s past year of commit activity
    Ruby 4 2 0 0 Updated Mar 4, 2024
  • pacmof Public Forked from arung-northwestern/pacmof

    PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic frameworks.

    snurr-group/pacmof’s past year of commit activity
    Python 14 BSD-3-Clause 7 0 0 Updated Feb 21, 2024
  • mofga Public
    snurr-group/mofga’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Jun 14, 2023
  • 2D-energy-histogram Public

    R implementation of machine learning using 2D energy histogram features for prediction of adsorption capacity

    snurr-group/2D-energy-histogram’s past year of commit activity
    C++ 8 1 0 0 Updated Jun 5, 2023
  • Xylene-Screen-MOFs Public

    Script that takes in text restart file using three-site model xylene and converts it to text restart file of full model xylene

    snurr-group/Xylene-Screen-MOFs’s past year of commit activity
    C 2 0 0 0 Updated Mar 13, 2023
  • mofdb-x-archive Public

    Archive of all changes to mofdb. Useful if trying to reproduce another researcher's results.

    snurr-group/mofdb-x-archive’s past year of commit activity
    1 1 0 0 Updated Dec 3, 2022
  • GCMC-Gelman-Rubin-Wrapper Public

    A wrapper that runs GCMC simulation using RASPA, and calculates the Gelman-Rubin convergence factor after the simulation is done and restart the simulation if needed.

    snurr-group/GCMC-Gelman-Rubin-Wrapper’s past year of commit activity
    Python 2 0 0 0 Updated Jan 7, 2022
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