/tools/ccpbiosim-2025

ccpbiosim-2025

openforcefield/ccpbiosim-2025

GitHub
tutorialtoolsmall-moleculemolecular-dynamics
10 stars4 forksJupyter NotebookAdded February 5, 2026
summary

This repository provides educational materials for the 2025 CCPBioSim Training Week, focusing on parameterizing small molecules and conducting molecular dynamics simulations for protein-ligand complexes. It includes Jupyter Notebooks that guide users through practical applications in molecular modeling.

description

Materials for the workshop during the 2025 CCPBioSim Training Week

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