3 code implementations • NeurIPS 2020 • Yu Rong, Yatao Bian, Tingyang Xu, Weiyang Xie, Ying WEI, Wenbing Huang, Junzhou Huang
We pre-train GROVER with 100 million parameters on 10 million unlabelled molecules -- the biggest GNN and the largest training dataset in molecular representation learning.
Ranked #4 on Molecular Property Prediction on QM7
no code implementations • 17 May 2020 • Hehuan Ma, Yatao Bian, Yu Rong, Wenbing Huang, Tingyang Xu, Weiyang Xie, Geyan Ye, Junzhou Huang
Guided by this observation, we present Multi-View Graph Neural Network (MV-GNN), a multi-view message passing architecture to enable more accurate predictions of molecular properties.