alchemical

Here are 3 public repositories matching this topic...

An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.

Absolute solvation free energy calculations with OpenFF and OpenMM

openmm hydration solvation free-energy non-equilibrium alchemical openff

Repository for the quest "Alchemical Solutions" written by Gromweld

story quest worm crossover alchemical exalted alchemical-exalted

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