CCPBioSim

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

Pinned Repositories

CCP5_Simulation_of_BioMolecules
Language:Jupyter Notebook12 8 04
clustering-workshop
Cluster analysis of MD simulation data using RMSD and PCA methods
Language:Jupyter Notebook9 7 01
CodeEntropy
CodeEntropy-POSEIDON for entropy calculation
Language:Python4 4 174
fesetup
A tool for setting up free energy simulations.
Language:Python35 9 1918
md-workshop
Workshop that teaches how to set up and analyse molecular dynamics simulations
Language:Jupyter Notebook7 5 05
MDAnalysis_ML_workshop
Language:Jupyter Notebook15 7 14
pca-workshop
Language:Jupyter Notebook6 4 01
python-and-data-workshop
Workshop that goes beyond beginner's python to give Jupyter use, intermediate python and data handling with pandas and matplotlib
Language:HTML6 3 23
qmmm-workshop
Workshop teaching QMMM using Amber
Language:Jupyter Notebook60 8 023
xswaps-workshop
Workshop teaching the basics of ligandswap, waterswap and proteinswap
Language:HTML6 3 01

CCPBioSim/md-workshop
Workshop that teaches how to set up and analyse molecular dynamics simulations
Language:Jupyter Notebook7 5 05
CCPBioSim/xswaps-workshop
Workshop teaching the basics of ligandswap, waterswap and proteinswap
Language:HTML6 3 01
CCPBioSim/msm-workshop
Language:Jupyter Notebook4 4 02
CCPBioSim/isambard-workshop
Workshop to teach how to use Isambard
Language:Jupyter Notebook2 6 0
CCPBioSim/BSS-alchemistry-workshop
Language:Jupyter Notebook1
CCPBioSim/feanalysis-workshop
Workshop to teach how to analyse free energy calculations using analyse_freenrg
Language:Jupyter Notebook1 3 0
CCPBioSim/introamber-workshop
Tutorial for introducing Amber simulations of biomolecules.
Language:Jupyter Notebook1 0
CCPBioSim/longbow-workshop
A short course introducing Longbow and its basic functionality.
Language:Jupyter Notebook