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@CCPBioSim

CCPBioSim

This is the development repository of the Collaborative Computational Project for Biomolecular Simulation

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  1. qmmm-workshop qmmm-workshop Public

    Workshop teaching QMMM using Amber

    Jupyter Notebook 60 23

  2. fesetup fesetup Public

    A tool for setting up free energy simulations.

    Python 35 18

  3. MDAnalysis_ML_workshop MDAnalysis_ML_workshop Public

    Jupyter Notebook 15 4

  4. CCP5_Simulation_of_BioMolecules CCP5_Simulation_of_BioMolecules Public

    Jupyter Notebook 12 4

  5. clustering-workshop clustering-workshop Public

    Cluster analysis of MD simulation data using RMSD and PCA methods

    Jupyter Notebook 9 1

  6. md-workshop md-workshop Public

    Workshop that teaches how to set up and analyse molecular dynamics simulations

    Jupyter Notebook 7 5

Repositories

Showing 10 of 38 repositories
  • CodeEntropy Public Forked from DonaldChung-HK/CodeEntropy

    CodeEntropy-POSEIDON for entropy calculation

    CCPBioSim/CodeEntropy’s past year of commit activity
    Python 4 MIT 6 19 0 Updated Mar 17, 2025
  • pca-workshop Public
    CCPBioSim/pca-workshop’s past year of commit activity
    Jupyter Notebook 6 MIT 1 1 0 Updated Feb 21, 2025
  • docking-workflow Public
    CCPBioSim/docking-workflow’s past year of commit activity
    Jupyter Notebook 4 MIT 0 0 0 Updated Feb 15, 2025
  • BioSim-analysis-workshop Public

    Workshop on the preparation, execution, and analysis of protein molecular dynamics simulations

    CCPBioSim/BioSim-analysis-workshop’s past year of commit activity
    Jupyter Notebook 3 2 0 0 Updated Jan 29, 2025
  • software_workshop Public
    CCPBioSim/software_workshop’s past year of commit activity
    Python 0 7 0 0 Updated Jan 20, 2025
  • clustering-workshop Public

    Cluster analysis of MD simulation data using RMSD and PCA methods

    CCPBioSim/clustering-workshop’s past year of commit activity
    Jupyter Notebook 9 MIT 1 0 0 Updated Nov 24, 2024
  • basic-statistics-workshop Public
    CCPBioSim/basic-statistics-workshop’s past year of commit activity
    Jupyter Notebook 3 MIT 0 0 0 Updated Nov 24, 2024
  • CCP5_Simulation_of_BioMolecules Public
    CCPBioSim/CCP5_Simulation_of_BioMolecules’s past year of commit activity
    Jupyter Notebook 12 4 0 0 Updated Jul 24, 2024
  • crossflow-workshop Public

    A workshop on building biomolecular simulation workflows with crossflow

    CCPBioSim/crossflow-workshop’s past year of commit activity
    Jupyter Notebook 0 MIT 2 0 0 Updated Nov 21, 2023
  • codeentropy-workshop Public

    Jupyter notebooks and data files for a CodeEntropy workshop

    CCPBioSim/codeentropy-workshop’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Sep 15, 2023
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