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1. CO2ACT CO2ACT Public

   CO₂ACT (CO₂ Amine Calorimetry and Thermodynamics) is a mechanistic modeling framework for simulating aqueous CO₂–amine systems. It predicts pH, solution speciation, and reaction thermodynamics by c…

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2. EnSort EnSort Public

   EnSort is a chemically aware toolkit for analyzing molecular structure ensembles. It reconstructs molecular topology, identifies functional groups and interaction motifs, and provides powerful sear…

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