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Electronic Property Prediction on Aspirin

Electronic Property Prediction on Aspirin

12.84MAE (K)PhiSNet

Updated 8mo ago

Evaluation results

Method	Links
PhiSNet2021.06		12.84	0.406	176.6	0.98
SchNOrb2021.06		506	110	48,689	0.57

State-of-the-art paper

PhiSNet

SE(3)-equivariant prediction of molecular wavefunctions and electronic densities

Dataset

Aspirin

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