CCPBioSim

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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 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 14 2

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

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

   Jupyter Notebook 12 4