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
- ccpbiosim.github.io Public
A developer facing web resource with various information and dashboards for the core ccpbiosim dev team
CCPBioSim/ccpbiosim.github.io’s past year of commit activity - enhanced-sampling-workshop Public Forked from rostaresearch/enhanced-sampling-workshop-2022
A repository containing the build steps for the ccpbiosim workshop on non-equilibrium MD
CCPBioSim/enhanced-sampling-workshop’s past year of commit activity - introamber-workshop Public
A repository containing the build steps for the ccpbiosim workshop introducing AMBER
CCPBioSim/introamber-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 - tw2025-protein-simulation-workshop Public
Workshop introducing simple MD simulations of a protein using Amber and OpenMM-based approaches
CCPBioSim/tw2025-protein-simulation-workshop’s past year of commit activity - tw2025-protein-preparation-workshop Public
Preparing protein (only) systems for MD simulation using Ambertools (plus CBAtools)
CCPBioSim/tw2025-protein-preparation-workshop’s past year of commit activity - tw2025-openff-workshop Public Forked from openforcefield/ccpbiosim-2025
Materials for the workshop during the 2025 CCPBioSim Training Week
CCPBioSim/tw2025-openff-workshop’s past year of commit activity - tw2025-dna-workshop Public
CCPBioSim/tw2025-dna-workshop’s past year of commit activity
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