most citedSymmetrical Graph Neural Network for Quantum Chemistry, with Dual R/K Space

31 citations · 31 across the 1 of their papers we have counts for

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physics.chem-ph2019★ 31 cited

Symmetrical Graph Neural Network for Quantum Chemistry, with Dual R/K Space

Shuqian Ye, Jiechun Liang, Rulin Liu +1

Most of current neural network models in quantum chemistry (QC) exclude the molecular symmetry, separate the well-correlated real space (R space), and momenta space (K space) into…