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8 search results found

Goodvibes ⭐ 124

Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections

Overreact ⭐ 45

⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.

Python Multiscale Thermochemistry Toolbox (pMuTT)

Aarontools.py ⭐ 33

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

A MOOSE application dedicated to general Chemical ReAction NEtworks for plasma chemistry and thermochemistry problems.

Combustion_toolbox ⭐ 17

A MATLAB-GUI based open-source tool for solving gaseous combustion problems

Thermoanalysis ⭐ 10

Stand-alone thermochemistry in python for ORCA and Gaussian.

Overreact Guide ⭐ 6

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

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1-8 of 8 search results

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