OC20_IS2RES_val_ood_ads
收藏DataCite Commons2025-04-24 更新2025-05-10 收录
下载链接：
https://materials.colabfit.org/id/DS_71806e6y8u2m_0
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资源简介：
OC20_IS2RES_ood_ads is the out-of-domain validation set for the OC20 Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Energy (IS2RE) tasks with unseen adsorbates. Features include energy, atomic forces and data from the OC20 mappings file, including adsorbate id, materials project bulk id and miller index.
提供机构：
ColabFit
创建时间：
2025-04-24
