This GitHub organisation contains software, workshop material and many other types of repositories.
The developer pages at ccpbiosim.github.io describe our development practices and list which repositories are actively maintained. Shared defaults for our repositories, such as dependency update configuration, community-health files and reusable workflows, live in CCPBioSim/.github.
A repository containing the build steps for the ccpbiosim workshop on QM/MM
Workshop on the preparation, execution, and analysis of protein molecular dynamics simulations
A developer facing web resource with various information and dashboards for the core ccpbiosim dev team
Python package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.
SIST calculates stress-induced structural transition probabilities in superhelical DNA, including strand separation, Z-DNA formation, cruciform extrusion, and competition between these transitions.
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