One Transformer Can Understand Both 2D & 3D Molecular Data

1 code implementation • 4 Oct 2022 • Shengjie Luo, Tianlang Chen, Yixian Xu, Shuxin Zheng, Tie-Yan Liu, LiWei Wang, Di He

To achieve this goal, in this work, we develop a novel Transformer-based Molecular model called Transformer-M, which can take molecular data of 2D or 3D formats as input and generate meaningful semantic representations.

Graph Regression molecular representation +1