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ThermoLIB -- A Python Library for Constructing and Post-Processing Free Energy Surfaces to Extract Thermodynamic and Kinetic Properties

Bocus, Massimo et al.
arXiv (All) · Papers
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chemical-physics
ThermoLIB is Python/Cython library designed to be used as a post-processing tool for constructing free energy surfaces from the output of molecular simulations, transforming them between different collective variables (CVs) and extracting thermodynamic and kinetic information. ThermoLIB is available
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