CCPBioSim
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qmmm-workshop
qmmm-workshop PublicA repository containing the build steps for the ccpbiosim workshop on QM/MM
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CodeEntropy
CodeEntropy PublicPython package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.
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clustering-workshop
clustering-workshop PublicA repository containing the build steps for the ccpbiosim workshop on Clustering.
Repositories
- aiida-plugin-testenv Public
This repository contains the a base image for building a test environment with python, conda, and mamba installed for use with testing aiida plugins.
CCPBioSim/aiida-plugin-testenv’s past year of commit activity - CodeEntropy Public
Python package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.
CCPBioSim/CodeEntropy’s past year of commit activity - com_ccpbiosim Public
A repository containing the source code for the CCPBioSim web component extension to joomla
CCPBioSim/com_ccpbiosim’s past year of commit activity - openff-workshop Public Forked from openforcefield/ccpbiosim-2025
Materials for the workshop during the 2025 CCPBioSim Training Week
CCPBioSim/openff-workshop’s past year of commit activity - nemd-workshop Public
A repository containing the build steps for the ccpbiosim workshop on non-equilibrium MD
CCPBioSim/nemd-workshop’s past year of commit activity - dna-workshop Public
CCPBioSim/dna-workshop’s past year of commit activity - protein-preparation-workshop Public
Preparing protein (only) systems for MD simulation using Ambertools (plus CBAtools)
CCPBioSim/protein-preparation-workshop’s past year of commit activity - protein-ml-workshop Public
Workshop on application of machine learning methoids to the analysis of MD simulation data
CCPBioSim/protein-ml-workshop’s past year of commit activity
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