CCPBioSim
Repositories list
73 repositories
aiida-amber
PublicAn Amber plugin for AiiDAaiida-gromacs
PublicA GROMACS plugin for AiiDACodeEntropy
PublicPython package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.prepmd
Publicccpbiosim.github.io
Publicdna-workshop
PublicPython-Template
Public templatepkg_ccpbiosim
PublicA repository containing the source code for the CCPBioSim web component extension to joomlajupyterhub-base
PublicA base container image derived from jupyterhub base containers with some extra utilities installed.qmmm-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on QM/MMcoarse-graining-workshop
PublicIntroduction to Coarse Graining with YidC: CCPBioSim Training Week 2025pdb2pqr-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on PDB2PQR Resourcesequilibration-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on Equilibrationbasic-analysis-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on basic analysis- A repository containing the build steps for the ccpbiosim workshop on Ubiquitin analysis
- Analysis of protein simulations with MDTraj
docking-workflow
PublicA repository containing the build steps for the ccpbiosim workshop on docking- Preparing protein (only) systems for MD simulation using Ambertools (plus CBAtools)
- A repository containing the build steps for the ccpbiosim workshop on basic statistics
mm-gbsa-workshop
Public- A repo to handle the build pipeline for an uglymol instance for the structure validation workshop
- A repository containing the build steps for the ccpbiosim workshop on Structure Validation
pca-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on PCAprotein-ml-workshop
PublicWorkshop on application of machine learning methoids to the analysis of MD simulation dataaiida-lysozyme-workshop
PublicA repository containing the build steps for the PSDI workshop on AiiDA tools for data collectionclustering-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on Clustering.python-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on Pythonaiida-gpcr-workshop
PublicA repository containing the build steps for the PSDI workshop on AiiDA tools for data collection
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