QM7X energy and force in dpdata's deepmd/npy format
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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. - Energy is `ePBE0+MBD` in QM7x - Force is `totFOR` in QM7x
创建时间:
2022-11-01



