Search Results for author: Weiyang Xie

Found 2 papers, 1 papers with code

Self-Supervised Graph Transformer on Large-Scale Molecular Data

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.

Molecular Property Prediction molecular representation +2

Multi-View Graph Neural Networks for Molecular Property Prediction

no code implementations17 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.

Drug Discovery Molecular Property Prediction +1

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