Unstable Crystallographic & Molecular Structures for Machine Learning of System Energies
收藏Figshare2020-05-22 更新2026-04-28 收录
下载链接：
https://figshare.com/articles/dataset/Unstable-Cristallo/12360620
下载链接
链接失效反馈官方服务：
资源简介：
- Augmented-QM9 molecular structures at unstable positions -- augm-qm9-{train,test,valid}.json- Periodic crystal structures at unstable positions -- periodic-al-cu-crystal.json- Finite-sized crystal structures at unstable positions -- scaled-finite-crystal-{train,test,valid}.json- Finite-sized crystal structures (stable positions only) -- scaled-stable-crystal.json
创建时间：
2020-05-22
