A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integrate them into inputs for thermodynamic libraries. UNIFAC, PSRK, Joback, and Abdulelah-Gani models are implemented.
python engineering groups functional pure molecule chemical properties thermodynamics chemical-engineering compound contribution group gibbs fragmentation excess unifac grupal joback
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Updated
Jul 1, 2026 - Python