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Top 3 free-energy open source projects

GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems

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C++Cuda c CMake objective c python gpu monte-carlo openmp cuda surface-tension monte-carlo-simulation free-energy adsorption grand-canonical-monte-carlo phase-equilibrium gibbs-ensemble

active-inference

A toy model of Friston's active inference in Tensorflow

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Jupyter Notebook deep-learning tensorflow cognitive-science free-energy variational-inference

A Python library and command line interface for automated free energy calculations

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python Jupyter Notebook molecular-dynamics lammps free-energy free-energy-calculations interatomic-potentials thermodynamic-calculations

1-3 of 3 free-energy projects