Learning Chemistry of Complex Reaction Systems via a Python First-Principles Reaction Rule Stencil (pReSt) Generator

Udit Gupta, Dionisios G. Vlachos. Learning Chemistry of Complex Reaction Systems via a Python First-Principles Reaction Rule Stencil (pReSt) Generator. Journal of Chemical Information and Computer Sciences, 61(7):3431-3441, 2021. [doi]

Authors

Udit Gupta

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Dionisios G. Vlachos

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