RESEARCH PAPER · Journal of Chemical Information and Modeling · 2025
dpdata: A Scalable Python Toolkit for Atomistic Machine Learning Data Sets
Jinzhe Zeng, Xulong Peng, Yong‐Bin Zhuang, Haidi Wang, Haidi Wang, Fengbo Yuan, Duo Zhang, Renxi Liu, Yingze Wang, Ping Tuo, Yuzhi Zhang, Yixiao Chen, Yifan Li, Cao Thang Nguyen, Jiameng Huang, Anyang Peng, Marián Rynik, Weihong Xu, Zezhong Zhang, Xuyuan Zhou, Tao Chen, Jiahao Fan, Wanrun Jiang, Bowen Li, Denan Li, Haoxi Li, Wenshuo Liang, Ruihao Liao, Liping Liu, Chenxing Luo, Logan T. Ward, Kaiwei Wan, Junjie Wang, Pan Xiang, Chengqian Zhang, Jinchao Zhang, Rongkang Zhou, Jiaxin Zhu, Linfeng Zhang, Han Wang, Han Wang
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