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The GNNPCSAFT Web 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. - CPU-compatible desktop build The standard...

The GNNPCSAFT Chat 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, you can chat with LLM models (Gemini or Ollama) with GNNPCSAFT tools, allowing you to ask questions about the PC-SAFT parameters of various compounds, predict thermodynamic properties, and get insights into the...

This project is UI to guide the user through the steps of home brewing. Each beer has a recipe of ingredients, but it also has a “recipe” for the process to make the beer. This app allows you to load a recipe (BeerXML), guide you through the brewing steps and record any details so that you can improve next time. By default, this app relies on user inputs and feedback from the real-world. There are easy hooks to a link up a real system, so that if you wanted to automate some of the...