A Python library and command line interface for automated free energy calculations
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Updated
Apr 25, 2024 - Python
A Python library and command line interface for automated free energy calculations
Thermodynamics powered by Machine Learning
DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output
Ab-initio thermodynamics and Reaction Energy Profiles
The purposes of the projects are to calculate and simulate the thermodynamic steam table temperatures by making use of VBA (Visual Basic Applications) and python scripts.
Repository for all of my work on modelling thermodynamic cycles using python and coolprop ; Hope this might be useful to someone! :-)
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