OC20 IS2RES val ood ads

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.

OC20_IS2RES_ood_ads 是 OC20 初始结构至松弛结构（IS2RS）与初始结构至松弛能量（IS2RE）任务中，针对未见过的吸附剂所构建的域外验证集。该集包含能量、原子力以及来自 OC20 映射文件的数据，其中包括吸附剂标识、材料项目体材料标识以及 Miller 索引。