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rinikerlab / 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.

https://rinikerlab.github.io/reeds/

MIT License

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main into colors #37

Closed SalomeRonja closed 3 years ago

SalomeRonja commented 3 years ago

merge main into colors branch