MLThermoProperties.jl

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MLThermoProperties.jlState-of-the-art hybrid thermodynamic models

Hybrid machine learning models to predict various thermodynamic properties - from phase equilibria to transport properties

Getting started
Examples and Tutorials
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MLThermoProperties.jl
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Thermodynamics + Machine Learning

Predictions of thermodynamic properties for any substance based on hybrid thermodynamic models

Clapeyron

Build on Clapeyron.jl

Use the rich thermodynamics solvers from Clapeyron.jl

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Website

See our website for interactive calculation of thermodynamic properties based on the MLPROP models

Installation ​

Install MLThermoProperties.jl in Julia by

julia
julia> using Pkg; Pkg.add("MLThermoProperties")

Properties and Thermodynamic Solvers ​

MLThermoProperties.jl uses Clapeyron.jl as backend for the calculation of thermodynamic bulk properties and phase equilibria. The Clapeyron.jl documentation can be found here.

For transport properties, the methods from EntropyScaling.jl (see documentation) are employed.

Quick Links: ​

Models ​

The MLThermoProperties models and their usage are documented here.