README.md

G-SphereNet

This is the official web page of the G-SphereNet method proposed in the following paper. Code is released in DIG package.

Youzhi Luo, Shuiwang Ji. "An Autoregressive Flow Model for 3D Molecular Geometry Generation from Scratch".

Citation

@inproceedings{
  luo2022an,
  title={An Autoregressive Flow Model for 3D Molecular Geometry Generation from Scratch},
  author={Youzhi Luo and Shuiwang Ji},
  booktitle={International Conference on Learning Representations},
  year={2022},
  url={https://openreview.net/forum?id=C03Ajc-NS5W}
}

Acknowledgments

This work was supported in part by National Science Foundation grants IIS-1908220.