CCPBioSim
Change the repository type filter
All
Repositories list
67 repositories
prepmd
Publicpkg_ccpbiosim
PublicA repository containing the source code for the CCPBioSim web component extension to joomla- Python package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.
- Materials for the workshop during the 2025 CCPBioSim Training Week
nemd-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on non-equilibrium MD- Preparing protein (only) systems for MD simulation using Ambertools (plus CBAtools)
- Workshop introducing simple MD simulations of a protein using Amber and OpenMM-based approaches
qmmm-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on QM/MMaiida-plugin-testenv
PublicThis repository contains the a base image for building a test environment with python, conda, and mamba installed for use with testing aiida plugins.coarse-graining-workshop
PublicIntroduction to Coarse Graining with YidC: CCPBioSim Training Week 2025mm-gbsa-workshop
Public- Analysis of protein simulations with MDTraj
- A repository containing the build steps for the ccpbiosim workshop on basic statistics
protein-ml-workshop
PublicWorkshop on application of machine learning methoids to the analysis of MD simulation datadocking-workflow
PublicA repository containing the build steps for the ccpbiosim workshop on docking- A repository containing the build steps for the ccpbiosim workshop on Ubiquitin analysis
python-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on Python- 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
pdb2pqr-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on PDB2PQR Resourcesjupyterhub-base
PublicA base container image derived from jupyterhub base containers with some extra utilities installed.pca-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on PCAbasic-analysis-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on basic analysisequilibration-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on Equilibrationclustering-workshop
PublicA repository containing the build steps for the ccpbiosim workshop on Clustering.aiida-gpcr-workshop
PublicA repository containing the build steps for the PSDI workshop on AiiDA tools for data collectionaiida-lysozyme-workshop
PublicA repository containing the build steps for the PSDI workshop on AiiDA tools for data collectionSIST
Public
ProTip! When viewing an organization's repositories, you can use the
props. filter to filter by custom property.