ANI-Al Dataset
收藏DataCite Commons2025-06-20 更新2025-09-08 收录
下载链接：
https://figshare.com/articles/dataset/ANI-Al_Dataset/29372552/1
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资源简介：
ANI-Al dataset: The dataset was used in the training and testing of Machine Learning Interatomic Potentials (MLIPs) in the article:<br><br>Justin S. Smith, Benjamin Nebgen, Nithin Mathew, Jie Chen, Nicholas Lubbers, Leonid Burakovsky, Sergei Tretiak, Hai Ah Nam, Timothy Germann, Saryu Fensin, & Kipton Barros. "Automated discovery of a robust interatomic potential for aluminum." Nature communications 12, no. 1 (2021): 1257.https://www.nature.com/articles/s41467-021-21376-0<br><br>Pre-trained models and scripts to load data can be found at https://github.com/atomistic-ml/ani-al<br>
提供机构：
figshare
创建时间：
2025-06-20
