Generated crystals for WyFormer, DiffCSP, DiffCSP++, WyCryst, SymmCD, CrystalFormer & MiAD
收藏DataCite Commons2025-08-20 更新2025-09-08 收录
下载链接：
https://figshare.com/articles/dataset/Generated_crystals_for_WyFormer_DiffCSP_DiffCSP_WyCryst_SymmCD_CrystalFormer_MiAD/29145101/3
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资源简介：
The exact team who ran the code and generated particular structures is listed in <code>datasets.yaml</code>, please cite them. See the "Related materials" below for the papers for each model<br><br>The folder structure is the following: the first is the dataset which was used for training, respecting the train/validate/test split. Then the folder structure corresponds to transformations of the data, mostly different kinds of structure relaxations. See the included README and Jupyter notebook for the data format.
提供机构：
figshare
创建时间：
2025-06-20
