CCPBioSim
This is the development repository of the Collaborative Computational Project for Biomolecular Simulation
UK
Pinned Repositories
CCP5_Simulation_of_BioMolecules
clustering-workshop
Cluster analysis of MD simulation data using RMSD and PCA methods
CodeEntropy
CodeEntropy-POSEIDON for entropy calculation
fesetup
A tool for setting up free energy simulations.
md-workshop
Workshop that teaches how to set up and analyse molecular dynamics simulations
MDAnalysis_ML_workshop
pca-workshop
python-and-data-workshop
Workshop that goes beyond beginner's python to give Jupyter use, intermediate python and data handling with pandas and matplotlib
qmmm-workshop
Workshop teaching QMMM using Amber
xswaps-workshop
Workshop teaching the basics of ligandswap, waterswap and proteinswap
CCPBioSim's Repositories
CCPBioSim/md-workshop
Workshop that teaches how to set up and analyse molecular dynamics simulations
CCPBioSim/xswaps-workshop
Workshop teaching the basics of ligandswap, waterswap and proteinswap
CCPBioSim/msm-workshop
CCPBioSim/isambard-workshop
Workshop to teach how to use Isambard
CCPBioSim/BSS-alchemistry-workshop
CCPBioSim/feanalysis-workshop
Workshop to teach how to analyse free energy calculations using analyse_freenrg
CCPBioSim/introamber-workshop
Tutorial for introducing Amber simulations of biomolecules.
CCPBioSim/longbow-workshop
A short course introducing Longbow and its basic functionality.