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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 53 23

  2. fesetup fesetup Public

    A tool for setting up free energy simulations.

    Python 34 18

  3. MDAnalysis_ML_workshop MDAnalysis_ML_workshop Public

    Jupyter Notebook 12 4

  4. CCP5_Simulation_of_BioMolecules CCP5_Simulation_of_BioMolecules Public

    Jupyter Notebook 11 4

  5. clustering-workshop clustering-workshop Public

    Cluster analysis of MD simulation data using RMSD and PCA methods

    Jupyter Notebook 8 1

  6. md-workshop md-workshop Public

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

    Jupyter Notebook 7 6

Repositories

Showing 10 of 38 repositories
  • 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 1 2 0 0 Updated Sep 15, 2024
  • software_workshop Public
    CCPBioSim/software_workshop’s past year of commit activity
    Python 0 7 0 0 Updated Sep 2, 2024
  • CCP5_Simulation_of_BioMolecules Public
    CCPBioSim/CCP5_Simulation_of_BioMolecules’s past year of commit activity
    Jupyter Notebook 11 4 0 0 Updated Jul 24, 2024
  • CodeEntropy Public Forked from DonaldChung-HK/CodeEntropy

    CodeEntropy-POSEIDON for entropy calculation

    CCPBioSim/CodeEntropy’s past year of commit activity
    Python 4 MIT 6 7 0 Updated Jun 13, 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
  • docking-workflow Public
    CCPBioSim/docking-workflow’s past year of commit activity
    Jupyter Notebook 4 MIT 0 0 0 Updated Sep 29, 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
  • reduce-propka-workshop Public

    Training workshop for Reduce and PropKa

    CCPBioSim/reduce-propka-workshop’s past year of commit activity
    Jupyter Notebook 1 MIT 0 0 0 Updated May 5, 2023
  • equilibration-workshop Public

    A workshop to demonstrate approaches to assessing equilibration in MD simulations

    CCPBioSim/equilibration-workshop’s past year of commit activity
    Jupyter Notebook 2 MIT 0 0 0 Updated Feb 22, 2023
  • biosimspace-advanced-simulation Public

    A workshop covering advanced biomolecular simulation methods with BioSimSpace.

    CCPBioSim/biosimspace-advanced-simulation’s past year of commit activity
    HTML 2 1 0 0 Updated Jan 31, 2023
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