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aarontools

Python tools for automating routine tasks encountered when running quantum chemistry computations.

goodvibes

A python program to compute corrections to thermochemical data from frequency calculations

pmutt

Python Multiscale Thermochemistry Toolbox (pMuTT)

overreact

⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data

panthera

Package for calculating thermochemistry with anharmonic corrections

chemperium

Machine learning for molecular property prediction