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    16 repositories

    • example-template

      Public
      Other
      •0•0•0•0•Updated Dec 3, 2024Dec 3, 2024

    • 8th_workshop_MachineLearning

      Public
      Repository for 8th i-CoMSE Workshop in Machine Learning for Molecular Science
      Jupyter Notebook
      •
      MIT License
      •2•0•0•0•Updated Oct 14, 2024Oct 14, 2024

    • 7th_workshop_MD

      Public
      Jupyter Notebook
      •3•5•0•0•Updated Jul 15, 2024Jul 15, 2024

    • mcmd_summer_2022

      Public
      Repository for material from the 2020 MC/MD Summer Workshop
      Jupyter Notebook
      •
      MIT License
      •3•11•0•0•Updated Jul 12, 2024Jul 12, 2024

    • icomse.github.io

      Public
      icomse main web page
      HTML
      •3•1•0•1•Updated Jul 3, 2024Jul 3, 2024

    • mcmd

      Public
      R
      •
      Other
      •1•0•8•0•Updated May 14, 2024May 14, 2024

    • 6th_workshop_advanced_sampling

      Public
      Jupyter Notebook
      •
      MIT License
      •8•0•0•0•Updated Feb 17, 2024Feb 17, 2024

    • 5th_workshop_MachineLearning

      Public
      Public GitHub repository for 5th i-CoMSE workshop on Machine Learning for Molecular Science
      Jupyter Notebook
      •
      MIT License
      •6•7•0•0•Updated Sep 1, 2023Sep 1, 2023

    • DFT_summer_2022

      Public
      Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop
      Vim Script
      •
      MIT License
      •3•13•0•0•Updated Jul 13, 2023Jul 13, 2023

    • 4th_workshop_dft

      Public
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •3•0•0•0•Updated Jun 8, 2023Jun 8, 2023

    • 3rd_workshop_advanced_sampling

      Public
      Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling
      Jupyter Notebook
      •
      MIT License
      •11•37•0•0•Updated May 1, 2023May 1, 2023

    • varnish

      Public
      Template for pkgdown site
      HTML
      •
      Other
      •33•0•0•0•Updated Nov 21, 2022Nov 21, 2022

    • webtesticomse.github.io

      Public
      icomse main web page (test)
      HTML
      •3•0•0•0•Updated Sep 29, 2022Sep 29, 2022

    • OSU_2022_mdmc_forcefields

      Public
      Force field introduction files for OSU 2022 MD/MC workshop
      Jupyter Notebook
      •
      MIT License
      •0•1•0•0•Updated Jul 14, 2022Jul 14, 2022

    • OSU_2022_physical_validation

      Public
      Information for physical validation workshop at OSU 2022 MD/MC Workshop
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Jul 12, 2022Jul 12, 2022

    • mcmd-hoomd

      Public
      Jupyter Notebook
      •0•1•0•0•Updated Jul 10, 2022Jul 10, 2022