Crystal Structure Prediction by Joint Equivariant Diffusion.

Rui Jiao Wenbing Huang Peijia Lin Jiaqi Han Pin Chen Yutong Lu Yang Liu

Published in: NeurIPS (2023)

Keyphrases

neural network
prediction accuracy
structural properties
prediction model
anisotropic diffusion
computer vision
medical images
tree structure
prediction error
rotation invariant
diffusion process