Welcome to GNNePCSAFT!

Experience next-generation thermodynamic modeling powered by AI.
Estimate ePC-SAFT parameters for your molecule in seconds!

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Tip: You can use SMILES or InChI strings. Find them at PubChem or build your own at DIYmol.
Try the new AI Chat!

Talk to the GNNePCSAFT agent and get thermodynamic properties like density, vapor pressure, enthalpy of vaporization, and more — just by chatting!

Available in the desktop app for Windows, Mac, and Linux.