most citedOrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy

103 citations · 103 across the 1 of their papers we have counts for

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1 paper

physics.chem-ph2021★ 103 cited

OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy

Anders S. Christensen, Sai Krishna Sirumalla, Zhuoran Qiao +8

We present OrbNet Denali, a machine learning model for electronic structure that is designed as a drop-in replacement for ground-state density functional theory (DFT) energy calcul…