Amidst #Elections2020 drama Happy to announce our work on multi task #AI for predicting #quantum #Chemistry using Orbnet: combines molecular orbitals with #graph #NeuralNetworks @tfmiller3 @EntosAI @Caltech @ZhuoranQ @mattgwelborn @FredManby at @NeurIPSConf workshop #compchemhttps://twitter.com/tfmiller3/status/1324631647531069440 …
OrbNet 
gradients are available, yielding excellent accuracy for geometry optimizations with 1000-fold reduction in DFT cost.
https://arxiv.org/abs/2011.02680
Accepted to the #ML4Molecules workshop at @NeurIPSConf
Great collaboration with @ZhuoranQ @AnimaAnandkumar and @EntosAI
gradients are available, yielding excellent accuracy for geometry optimizations with 1000-fold reduction in DFT cost.
https://arxiv.org/abs/2011.02680
Accepted to the 
