CCPBioSim
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      qmmm-workshopqmmm-workshop PublicA repository containing the build steps for the ccpbiosim workshop on QM/MM 
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      CodeEntropyCodeEntropy PublicPython package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method. 
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      clustering-workshopclustering-workshop PublicA repository containing the build steps for the ccpbiosim workshop on Clustering. 
Repositories
-           protein-simulation-workshop PublicWorkshop introducing simple MD simulations of a protein using Amber and OpenMM-based approaches CCPBioSim/protein-simulation-workshop’s past year of commit activity 
-           protein-preparation-workshop PublicPreparing protein (only) systems for MD simulation using Ambertools (plus CBAtools) CCPBioSim/protein-preparation-workshop’s past year of commit activity 
-           protein-ml-workshop PublicWorkshop 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-2025Materials for the workshop during the 2025 CCPBioSim Training Week CCPBioSim/openff-workshop’s past year of commit activity 
-           dna-workshop PublicCCPBioSim/dna-workshop’s past year of commit activity 
-           coarse-graining-workshop Public Forked from KhalidLab/CCPBioSimPracticalIntroduction to Coarse Graining with YidC: CCPBioSim Training Week 2025 CCPBioSim/coarse-graining-workshop’s past year of commit activity 
-           ccpbiosim.github.io PublicA 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 
-           ubiquitin-analysis-workshop PublicA repository containing the build steps for the ccpbiosim workshop on Ubiquitin analysis CCPBioSim/ubiquitin-analysis-workshop’s past year of commit activity 
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