CCPBioSim
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qmmm-workshop
qmmm-workshop PublicA repository containing the build steps for the ccpbiosim workshop on QM/MM
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CodeEntropy
CodeEntropy PublicPython package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.
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clustering-workshop
clustering-workshop PublicA repository containing the build steps for the ccpbiosim workshop on Clustering.
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 - 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 - protein-ml-workshop Public
Workshop on application of machine learning methoids to the analysis of MD simulation data
CCPBioSim/protein-ml-workshop’s past year of commit activity - openff-workshop Public Forked from openforcefield/ccpbiosim-2025
Materials for the workshop during the 2025 CCPBioSim Training Week
CCPBioSim/openff-workshop’s past year of commit activity - protein-preparation-workshop Public
Preparing protein (only) systems for MD simulation using Ambertools (plus CBAtools)
CCPBioSim/protein-preparation-workshop’s past year of commit activity - protein-simulation-workshop Public
Workshop introducing simple MD simulations of a protein using Amber and OpenMM-based approaches
CCPBioSim/protein-simulation-workshop’s past year of commit activity - nemd-workshop Public
A repository containing the build steps for the ccpbiosim workshop on non-equilibrium MD
CCPBioSim/nemd-workshop’s past year of commit activity - dna-workshop Public
CCPBioSim/dna-workshop’s past year of commit activity - introamber-workshop Public
A repository containing the build steps for the ccpbiosim workshop introducing AMBER
CCPBioSim/introamber-workshop’s past year of commit activity
