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dpdata: A Scalable Python Toolkit for Atomistic Machine Learning Data Sets File

Zeng, Jinzhe , Peng, Xingliang , Zhuang, Yong-Bin , Wang, Haidi , Yuan, Fengbo , Zhang, Duo , Liu, Renxi , Wang, Yingze , Tuo, Ping , Zhang, Yuzhi , et al

Article Issue Date2025-11 View2
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