overreact
reaction simulator
An in-silico lab for automating quantum chemical microkinetic simulations of complex chemical reactions
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.
51 stars
2 watching
10 forks
Language: Python
last commit: almost 2 years agoLinked from 1 awesome list
automationchemical-kineticsclicomputational-chemistrycomputational-chemistry-logfilesdslfirst-principlesin-silicolibrarymicrokineticsmodelingoverreactpythonqrrhoquantum-tunnelingreactionsrrhothermochemistry
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