A multi-scale computational suite for macroscopic thermodynamic phase modeling and extraction evaluation
extractioncomputational-chemistrythermodynamicssolubilitydesorcaphase-diagramsleactivity-coefficientslogpcosmo-rsdeep-eutectic-solventssolid-liquid-equilibriumopencosmo-rsorcacosmosigma-profilepartition-coefficientfree-energy-of-transfer
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Updated
May 21, 2026 - Python