This is the official web page of the SphereNet method proposed in the following paper. Code is released in DIG package.
Yi Liu, Limei Wang, Meng Liu, Yuchao Lin, Xuan Zhang, Bora Oztekin, and Shuiwang Ji. "Spherical Message Passing for 3D Molecular Graphs".
@inproceedings{
liu2022spherical,
title={Spherical Message Passing for 3D Molecular Graphs},
author={Yi Liu and Limei Wang and Meng Liu and Yuchao Lin and Xuan Zhang and Bora Oztekin and Shuiwang Ji},
booktitle={International Conference on Learning Representations},
year={2022},
url={https://openreview.net/forum?id=givsRXsOt9r}
}This work was supported in part by National Science Foundation grant IIS-1908198 and National Institutes of Health grant 1R21NS102828.