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geem-lab
overreact geem-lab
8
48
mit
1
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.
cli dsl rrho qrrho python library modeling in-silico overreact reactions automation microkinetics thermochemistry first-principles chemical-kinetics quantum-tunneling computational-chemistry computational-chemistry-logfiles
Created 2019-10-11
696 commits to main branch, last one 26 days ago