colabfit/OC20_S2EF_val_ood_both
收藏Hugging Face2025-10-17 更新2025-10-25 收录
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https://hf-mirror.com/datasets/colabfit/OC20_S2EF_val_ood_both
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资源简介：
OC20_S2EF_val_ood_both是OC20结构到能量和力（S2EF）数据集的域外验证集，包含未见的催化剂组成和吸附质。该数据集的特征包括能量、原子力和OC20映射文件中的数据，如吸附质ID、材料项目块ID和米勒指数。
OC20_S2EF_val_ood_both is the out-of-domain validation set of the OC20 Structure to Energy and Forces (S2EF) dataset featuring both unseen catalyst composition and unseen adsorbate. 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
