BatmanNet: Bi-branch Masked Graph Transformer Autoencoder for Molecular Representation

1 code implementation • 25 Nov 2022 • Zhen Wang, Zheng Feng, Yanjun Li, Bowen Li, Yongrui Wang, Chulin Sha, Min He, Xiaolin Li

Although substantial efforts have been made using graph neural networks (GNNs) for AI-driven drug discovery (AIDD), effective molecular representation learning remains an open challenge, especially in the case of insufficient labeled molecules.

Drug Discovery Molecular Property Prediction +4