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Candide Champion 's Projects

pydr icon pydr

pyDIFRATE with graphical user interface

pygromostools icon pygromostools

This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and analyze simulations in python.

reeds icon reeds

This pipeline is executing a RE-EDS run for relative free energy calculations. It can be used for example for calculation of hydration free energies or ligand binding free energies.

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