Skip to content
@CCPBioSim

CCPBioSim

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

Popular repositories Loading

  1. qmmm-workshop qmmm-workshop Public

    Workshop teaching QMMM using Amber

    Jupyter Notebook 66 22

  2. fesetup fesetup Public

    A tool for setting up free energy simulations.

    Python 36 18

  3. CCP5_Simulation_of_BioMolecules CCP5_Simulation_of_BioMolecules Public

    Jupyter Notebook 16 5

  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 10

  6. clustering-workshop clustering-workshop Public

    Cluster analysis of MD simulation data using RMSD and PCA methods

    Jupyter Notebook 9 1

Repositories

Showing 10 of 42 repositories

Top languages

Loading…

Most used topics

Loading…