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Projects in Awesome Lists tagged with excess

A curated list of projects in awesome lists tagged with excess .

https://github.com/ipqa-research/ugropy

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, and Joback models are implemented.

chemical chemical-engineering compound contribution engineering excess fragmentation functional gibbs group groups grupal joback molecule properties pure python thermodynamics unifac

Last synced: 08 Feb 2025