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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 21

  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 18 6

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

    Jupyter Notebook 16 5

  5. clustering-workshop clustering-workshop Public

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

    Jupyter Notebook 10 1

  6. CodeEntropy CodeEntropy Public

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

    Python 10 2

Repositories

Showing 10 of 67 repositories
  • 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 10 MIT 2 9 0 Updated Apr 8, 2026
  • 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 6 1 Updated Apr 6, 2026
  • jupyterhub-base Public Forked from jimboid/biosim-jupyterhub-base

    A base container image derived from jupyterhub base containers with some extra utilities installed.

    CCPBioSim/jupyterhub-base’s past year of commit activity
    Dockerfile 1 MIT 1 0 0 Updated Apr 4, 2026
  • 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 Apr 3, 2026
  • pdb2pqr-workshop Public

    A repository containing the build steps for the ccpbiosim workshop on PDB2PQR Resources

    CCPBioSim/pdb2pqr-workshop’s past year of commit activity
    Jupyter Notebook 2 MIT 0 0 0 Updated Apr 3, 2026
  • 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 Apr 3, 2026
  • basic-statistics-workshop Public

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

    CCPBioSim/basic-statistics-workshop’s past year of commit activity
    Jupyter Notebook 4 MIT 1 0 0 Updated Apr 3, 2026
  • 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 Apr 3, 2026
  • qmmm-workshop Public

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

    CCPBioSim/qmmm-workshop’s past year of commit activity
    Jupyter Notebook 68 MIT 21 0 0 Updated Apr 3, 2026
  • 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 Apr 3, 2026
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