Python Group Additivity (pGrAdd) software for estimating species thermochemical properties
Gerhard R. Wittreich, Dionisios G. Vlachos
Topics & Concepts
Python (programming language)Additive functionComputer scienceSoftwareMIT LicenseComputational scienceComputationProgramming languageTheoretical computer scienceChemistryMathematicsMathematical analysisMachine Learning in Materials ScienceAdvanced Chemical Physics StudiesCatalysis and Oxidation Reactions