#Microkinetics
Showing 2 of 2 repositories tagged #microkinetics, ranked by stars
LopezGroup-ICIQ
care
Automated creation and manipulation of chemical reaction networks (CRNs) in heterogeneous catalysis, powered by state-of-the-art ML evaluators and Julia-solvers for microkinetic modelling.
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87
โ 14
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Python
geem-lab
overreact
โ๏ธ๐ Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.
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0
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64
โ 10
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Python