Published August 2, 2024
| Version v1
Software
Open
Source Code for "Scalable Crystal Structure Relaxation Using an Iteration-Free Deep Generative Model with Uncertainty Quantification"
Creators
Contributors
Contact persons:
Description
Source code for paper "Scalable Crystal Structure Relaxation Using an Iteration-Free Deep Generative Model with Uncertainty Quantification". Also available at https://github.com/Shen-Group/DeepRelax
Files
DeepRelax-main.zip
Files
(58.6 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:519226db5ba3e594bd7f2f00b1fcd28b
|
58.6 MB | Preview Download |
Additional details
Software
- Repository URL
- https://github.com/Shen-Group/DeepRelax
- Programming language
- Python