overreact
github.com/geem-lab/overreactA library and command-line tool for building and analyzing complex homogeneous microkinetic models from quantum chemistry calculations, with support for quasi-harmonic thermochemistry, quantum tunnelling corrections, molecular symmetries and more.
Sourced from
- Awesome Python Chemistry — github.com/geem-lab/overreact
- GitHub — github.com/geem-lab/overreact
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