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Search results for python thermochemistry

thermochemistry x

5 search results found

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.

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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