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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 41 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. DFT_summer_2022 DFT_summer_2022 Public

    Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop

    Vim Script 14 3

  4. mcmd_summer_2022 mcmd_summer_2022 Public

    Repository for material from the 2020 MC/MD Summer Workshop

    Jupyter Notebook 13 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

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