CCPBioSim
Repositories list
76 repositories
aiida-gromacs
PublicA GROMACS plugin for AiiDAbiosim-extractor
PublicSIST
Publictw2026-openfe-workshop
Publicopenff-workshop
PublicMaterials for the workshop during the 2026 CCPBioSim Training Weekccpbiosim.github.io
PublicCodeEntropy
PublicPython package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.biosim-schema
Publicqmmm-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on QM/MMaiida-amber
PublicAn Amber plugin for AiiDAbiosimdb-interface
Publicdocking-workflow
PublicA repository containing the build steps for the ccpbiosim workshop on dockingpython-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on Pythonmm-gbsa-workshop
Publicprotein-ml-workshop
PublicWorkshop on application of machine learning methoids to the analysis of MD simulation data- Preparing protein (only) systems for MD simulation using Ambertools (plus CBAtools)
coarse-graining-workshop
PublicIntroduction to Coarse Graining with YidC: CCPBioSim Training Week 2025aiida-lysozyme-workshop
PublicA repository containing the build steps for the PSDI workshop on AiiDA tools for data collection- A repo to handle the build pipeline for an uglymol instance for the structure validation workshop
aiida-gpcr-workshop
PublicA repository containing the build steps for the PSDI workshop on AiiDA tools for data collectionjupyterhub-base
PublicA base container image derived from jupyterhub base containers with some extra utilities installed.nemd-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on non-equilibrium MD- Workshop introducing simple MD simulations of a protein using Amber and OpenMM-based approaches
- A repository containing the build steps for the ccpbiosim workshop on basic statistics
clustering-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on Clustering.equilibration-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on Equilibration
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