Thermodynamics with GNNPCSAFT
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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. More on ThermoML Archive at their paper.
On releases, you find a electron app for the chat. A container image is also available on Docker Hub, and can be run using:
docker run -p 19770:8000 wildsonbbl/gnnpcsaftwebapp:latest
Other implementations with GNNPCSAFT:
Content type
Image
Digest
sha256:5747ada56…
Size
1.1 GB
Last updated
10 days ago
docker pull wildsonbbl/gnnpcsaftwebapp