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The GNNPCSAFT app is an implementation of our project that focuses on using Graph Neural Networks (GNN) to estimate the pure-component parameters of the Equation of State PC-SAFT. We developed this app so the scientific community can access the model's results easily. In this app, the estimated pure-component parameters can be used to calculate thermodynamic properties and compare them with experimental data from the ThermoML Archive. To install the GNNPCSAFT app, download the appropriate latest release from the Files, unzip the file, and run the executable for your operating system (Linux or Windows). ...

DAE Tools is a cross-platform equation-based object-oriented modelling, simulation and optimisation software. It is not a modelling language nor a collection of numerical libraries but rather a higher level structure – an architectural design of interdependent software components providing an API for: - Model development/specification - Activities on developed models, such as simulation, optimisation, sensitivity analysis and parameter estimation - Processing of the results, such as...

CAELinux is an installable live (USB) Linux distribution dedicated to open source engineering with a focus on Computer Aided Engineering and Scientific Computing. Based on Ubuntu, it features a ready to use workstation environment for open source product development, makers and scientist with many CAD/CAM/CAE applications for mechanical design, stress analysis, heat transfer, flow simulation and CNC manufacturing / 3D printing as well as electronic design tools and a complete development...