遇见数据集

OC22-S2EF-Train

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DataCite Commons2024-03-28 更新2024-07-13 收录
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资源简介:

Training configurations for the structure to total energy and forces task (S2EF) of OC22. Open Catalyst 2022 (OC22) is a database of training trajectories for predicting catalytic reactions on oxide surfaces meant to complement OC20, which did not contain oxide surfaces.

提供机构:
ColabFit
创建时间:
2024-03-28
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