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pyquiver-kie


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Author: Eugene Kwan, Thayer Anderson
License: Apache License Version 2.0, January 2004 http://www.apache.org/licenses/ TERMS AND CONDITIONS FOR USE, REPRODUCTI...
Summary: Calculate kinetic and equilibrium isotope effects from Hessian matrices using the Bigeleisen-Mayer equation.
Latest version: 1.1.0
Required dependencies: numpy
Optional dependencies: coverage | pandas | pytest

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