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orcacosmo

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vainikanpete / ATLAS

A multi-scale computational suite for macroscopic thermodynamic phase modeling and extraction evaluation

extraction computational-chemistry thermodynamics solubility des orca phase-diagram sle activity-coefficients logp cosmo-rs deep-eutectic-solvents solid-liquid-equilibrium opencosmo-rs orcacosmo sigma-profile partition-coefficient free-energy-of-transfer

Updated May 4, 2026
Python

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