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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

    A repository containing the build steps for the ccpbiosim workshop on QM/MM

    Jupyter Notebook 68 22

  2. fesetup fesetup Public archive

    A tool for setting up free energy simulations.

    Python 36 18

  3. CCP5_Simulation_of_BioMolecules CCP5_Simulation_of_BioMolecules Public

    Jupyter Notebook 17 6

  4. mdanalysis-ml-workshop mdanalysis-ml-workshop Public

    Jupyter Notebook 15 5

  5. CodeEntropy CodeEntropy Public

    Python package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.

    Python 11 1

  6. clustering-workshop clustering-workshop Public

    A repository containing the build steps for the ccpbiosim workshop on Clustering.

    Jupyter Notebook 10 1

Repositories

Showing 10 of 67 repositories
  • ccpbiosim.github.io Public

    A developer facing web resource with various information and dashboards for the core ccpbiosim dev team

    CCPBioSim/ccpbiosim.github.io’s past year of commit activity
    Python 2 MIT 0 14 2 Updated Jan 12, 2026
  • CodeEntropy Public

    Python package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.

    CCPBioSim/CodeEntropy’s past year of commit activity
    Python 11 MIT 1 12 1 Updated Jan 9, 2026
  • Python-Template Public template

    A template repository for Python projects within the CCPBioSim organisation

    CCPBioSim/Python-Template’s past year of commit activity
    Python 1 MIT 0 1 1 Updated Jan 8, 2026
  • docking-workflow Public

    A repository containing the build steps for the ccpbiosim workshop on docking

    CCPBioSim/docking-workflow’s past year of commit activity
    Jupyter Notebook 6 MIT 0 0 0 Updated Jan 5, 2026
  • dna-workshop Public
    CCPBioSim/dna-workshop’s past year of commit activity
    Jupyter Notebook 1 MIT 0 1 0 Updated Jan 5, 2026
  • basic-analysis-workshop Public

    A repository containing the build steps for the ccpbiosim workshop on basic analysis

    CCPBioSim/basic-analysis-workshop’s past year of commit activity
    Jupyter Notebook 5 MIT 0 0 0 Updated Dec 22, 2025
  • aiida-gpcr-workshop Public Forked from jimboid/biosim-aiida-gpcr-workshop

    A repository containing the build steps for the PSDI workshop on AiiDA tools for data collection

    CCPBioSim/aiida-gpcr-workshop’s past year of commit activity
    Dockerfile 1 MIT 1 0 0 Updated Dec 22, 2025
  • clustering-workshop Public

    A repository containing the build steps for the ccpbiosim workshop on Clustering.

    CCPBioSim/clustering-workshop’s past year of commit activity
    Jupyter Notebook 10 MIT 1 0 0 Updated Dec 22, 2025
  • equilibration-workshop Public

    A repository containing the build steps for the ccpbiosim workshop on Equilibration

    CCPBioSim/equilibration-workshop’s past year of commit activity
    Jupyter Notebook 3 MIT 0 0 0 Updated Dec 22, 2025
  • python-workshop Public

    A repository containing the build steps for the ccpbiosim workshop on Python

    CCPBioSim/python-workshop’s past year of commit activity
    Jupyter Notebook 7 MIT 3 0 0 Updated Dec 22, 2025
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