Data for DeePMD-kit v2 paper

This is the repository for supporting data in the following paper:

Jinzhe Zeng, Duo Zhang, Denghui Lu, Pinghui Mo, Zeyu Li, Yixiao Chen, Mari´an Rynik, Li’ang Huang, Ziyao Li, Shaochen Shi, Yingze Wang, Haotian Ye, Ping Tuo, Jiabin Yang, Ye Ding, Yifan Li, Davide Tisi, Qiyu Zeng, Han Bao, Yu Xia, Jiameng Huang, Koki Muraoka, Yibo Wang, Junhan Chang, Fengbo Yuan, Sigbjørn Løland Bore, Chun Cai, Yinnian Lin, Bo Wang, Jiayan Xu, Jia-Xin Zhu, Chenxing Luo, Yuzhi Zhang, Rhys E. A. Goodall, Wenshuo Liang, Anurag Kumar Singh, Sikai Yao, Jingchao Zhang, Renata Wentzcovitch, Jiequn Han, Jie Liu, Weile Jia, Darrin M. York, Weinan E, Roberto Car, Linfeng Zhang, and Han Wang, DeePMD-kit v2: A software package for deep potential models, J. Chem. Phys., 2023, 159, 54801.

Please give the proper credits if you reuse these data.

Data sets and LAMMPS data

Name	Link	LAMMPS data
Water	AISSquare	water.lmp
Cu	AISSquare	copper.lmp
HEA	Coming soon	hea.lmp
OC2M	AISSquare
SPICE	10.5281/zenodo.7606550

Models

System	loc_frame FP64	loc_frame FP32	se_e2_a FP64	se_e2_a FP32	se_e2_a+se_e2_r FP64	se_e2_a+se_e2_r FP32	se_e2_a+se_e3 FP64	se_e2_a+se_e3 FP32	se_atten FP64	se_atten FP32
Water	01	02	03	04	05	06	07	08	09	10
Cu	11	12	13	14	15	16	17	18	19	20
OC2M									29	30
HEA			33	34	35	36	37	38	39	40
Dipeptides			43	44	45	46	47	48	49	50
SPICE									63	64