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FEASST: Free Energy and Advanced Sampling Simulation Toolkit
The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with flat-histogram... -
mumpcepy: A Python implementation of the Method of Uncertainty Minimization u...
The Method of Uncertainty Minimization using Polynomial Chaos Expansions (MUM-PCE) was developed as a software tool to constrain physical models against experimental... -
FEASST: Free Energy and Advanced Sampling Simulation Toolkit
The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with flat-histogram...