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@icomse

Institute for Computational Molecular Science Education (i-CoMSE)

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  1. 3rd_workshop_advanced_sampling 3rd_workshop_advanced_sampling Public

    Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling

    Jupyter Notebook 42 13

  2. 9th_workshop_ml_for_molecules 9th_workshop_ml_for_molecules Public

    Repository for 9th I-CoMSE virtual workshop for machine learning for molecules

    Jupyter Notebook 15 13

  3. mcmd_summer_2022 mcmd_summer_2022 Public

    Repository for material from the 2020 MC/MD Summer Workshop

    Jupyter Notebook 14 4

  4. DFT_summer_2022 DFT_summer_2022 Public

    Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop

    Vim Script 14 3

  5. 5th_workshop_MachineLearning 5th_workshop_MachineLearning Public

    Public GitHub repository for 5th i-CoMSE workshop on Machine Learning for Molecular Science

    Jupyter Notebook 7 5

  6. 7th_workshop_MD 7th_workshop_MD Public

    Jupyter Notebook 5 3

Repositories

Showing 10 of 19 repositories
  • icomse.github.io Public

    icomse main web page

    icomse/icomse.github.io’s past year of commit activity
    HTML 2 3 0 1 Updated Nov 17, 2025
  • 11th_workshop_mesoscale_modeling Public

    11th i-CoMSE workshop on multiscale modeling

    icomse/11th_workshop_mesoscale_modeling’s past year of commit activity
    Jupyter Notebook 1 MIT 5 0 0 Updated Jul 23, 2025
  • 10th_workshop_QM_MM_AIMD Public
    icomse/10th_workshop_QM_MM_AIMD’s past year of commit activity
    Jupyter Notebook 4 3 0 0 Updated Jul 7, 2025
  • 9th_workshop_ml_for_molecules Public

    Repository for 9th I-CoMSE virtual workshop for machine learning for molecules

    icomse/9th_workshop_ml_for_molecules’s past year of commit activity
    Jupyter Notebook 15 MIT 13 0 0 Updated May 3, 2025
  • 8th_workshop_MachineLearning Public

    Repository for 8th i-CoMSE Workshop in Machine Learning for Molecular Science

    icomse/8th_workshop_MachineLearning’s past year of commit activity
    Jupyter Notebook 0 MIT 2 0 0 Updated Apr 25, 2025
  • example-template Public
    icomse/example-template’s past year of commit activity
    0 0 0 0 Updated Dec 3, 2024
  • 7th_workshop_MD Public
    icomse/7th_workshop_MD’s past year of commit activity
    Jupyter Notebook 5 3 0 0 Updated Jul 15, 2024
  • mcmd_summer_2022 Public

    Repository for material from the 2020 MC/MD Summer Workshop

    icomse/mcmd_summer_2022’s past year of commit activity
    Jupyter Notebook 14 MIT 4 0 0 Updated Jul 12, 2024
  • mcmd Public
    icomse/mcmd’s past year of commit activity
    R 0 1 8 0 Updated May 14, 2024
  • 6th_workshop_advanced_sampling Public
    icomse/6th_workshop_advanced_sampling’s past year of commit activity
    Jupyter Notebook 3 MIT 8 0 0 Updated Feb 17, 2024
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