遇见数据集

OC20_IS2RES_train

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DataCite Commons2024-03-28 更新2025-04-09 收录
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资源简介:

Configurations for the initial structure to relaxed energy (IS2RE) and initial structure to relaxed structure (IS2RS) tasks of Open Catalyst 2020 (OC20). Dataset corresponds to the "All IS2RE/S training data split under the "Relaxation Trajectories" section of the Open Catalyst Project GitHub page.

提供机构:
ColabFit
创建时间:
2024-03-28
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