QM7X energy and force in dpdata's deepmd/npy format
收藏Figshare2022-11-01 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/dataset/QM7X_energy_and_force_in_dpdata_s_deepmd_npy_format/21437700/1
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资源简介：
Recompress data of QM7X dataset(https://www.nature.com/articles/s41597-021-00812-2) with dpdata(https://github.com/deepmodeling/dpdata) "deepmd/npy" format. <br> - Energy is `ePBE0+MBD` in QM7x<br> - Force is `totFOR` in QM7x <br>
提供机构：
Yanbo, Han
创建时间：
2022-11-01
