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GeezerVison is showing github.com — CCPBioSim

README.md

CCPBioSim

This GitHub organisation contains software, workshop material and many other types of repositories.

The developer pages at ccpbiosim.readthedocs.io describe our development practices and list which repositories are actively maintained. Shared defaults for our repositories, such as dependency update configuration, community-health files and reusable workflows, live in CCPBioSim/.github.

Popular repositories Loading

  1. qmmm-workshop qmmm-workshop Public

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

    Jupyter Notebook 70 21

  2. fesetup fesetup Public archive

    A tool for setting up free energy simulations.

    Python 37 18

  3. CCP5_Simulation_of_BioMolecules CCP5_Simulation_of_BioMolecules Public

    Jupyter Notebook 23 10

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

    Jupyter Notebook 17 5

  5. prepmd prepmd Public

    Automatically prepare structures from the PDB for molecular dynamics simulation

    Python 15 2

  6. biosim-analysis-workshop biosim-analysis-workshop Public

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

    Jupyter Notebook 13 4

Repositories

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  • ccpbiosim-sphinx-theme Public

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    CCPBioSim/ccpbiosim-sphinx-theme's past year of commit activity
    Python 1 MIT 0 1 0 Updated Nov 12, 2026
  • Python-Template Public template

    A template repository for Python projects within the CCPBioSim organisation

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    CCPBioSim/Python-Template's past year of commit activity
    Python 1 MIT 0 1 0 Updated Nov 12, 2026
  • CodeEntropy Public

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

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    CCPBioSim/CodeEntropy's past year of commit activity
    Python 11 MIT 6 8 1 Updated Nov 12, 2026
  • pkg_ccpbiosim Public

    A repository containing the source code for the CCPBioSim web component extension to joomla

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    CCPBioSim/pkg_ccpbiosim's past year of commit activity
    PHP 2 MIT 0 2 1 Updated Nov 12, 2026
  • SIST Public

    SIST calculates stress-induced structural transition probabilities in superhelical DNA, including strand separation, Z-DNA formation, cruciform extrusion, and competition between these transitions.

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    CCPBioSim/SIST's past year of commit activity
    C++ 3 MIT 0 14 5 Updated Nov 12, 2026
  • 2026-building-molecular-systems-workshop Public

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    CCPBioSim/2026-building-molecular-systems-workshop's past year of commit activity
    Jupyter Notebook 0 0 0 2 Updated Nov 12, 2026
  • ccpbiosim.github.io Public

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

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    CCPBioSim/ccpbiosim.github.io's past year of commit activity
    2 MIT 1 7 0 Updated Nov 11, 2026
  • structure-validation-uglymol Public Forked from jimboid/biosim-uglymol

    A repo to handle the build pipeline for an uglymol instance for the structure validation workshop

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    CCPBioSim/structure-validation-uglymol's past year of commit activity
    HTML 1 MIT 1 1 0 Updated Nov 11, 2026
  • aiida-amber Public

    An Amber plugin for AiiDA

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    CCPBioSim/aiida-amber's past year of commit activity
    Python 2 MIT 3 5 0 Updated Nov 11, 2026
  • aiida-gromacs Public

    A GROMACS plugin for AiiDA

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    CCPBioSim/aiida-gromacs's past year of commit activity
    Python 8 MIT 7 7 0 Updated Nov 11, 2026
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