DeePMD-kit v2: A software package for deep potential models - Zeng, Jinzhe; Zhang, Duo; Lu, Denghui; Mo, Pinghui; Li, Zeyu; Chen, Yixiao; Rynik, Marián; Huang, Li’ang; Li, Ziyao; Shi, Shaochen; Wang, Yingze; Ye, Haotian; et al. (The Journal of chemical physics, 2023)
Keywords: Application programming interface; artificial neural networks; computer software; deep learning; Graphical user interface; Graphics processing units; Machine learning; MATHEMATICS AND COMPUTING; Molecular dynamics; Open source software; peptides; Physics; Software packages; Tensile properties; User interfaces