colabfit/sAlex_train
收藏Hugging Face2025-10-17 更新2025-10-25 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/sAlex_train
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资源简介：
sAlex train是Alexandria数据集的子集，用于微调OMat24模型。该数据集通过移除在WBM中匹配的结构，并且只采样能量差异大于10 meV/atom的结构轨迹来创建，包含10345613个独特的分子配置和106888622个原子，以及多种物理性质。
sAlex train is a subsample of the Alexandria dataset used for fine-tuning the OMat24 models. It is created by removing structures matched in WBM and only sampling structures along a trajectory with an energy difference greater than 10 meV/atom. It contains 10345613 unique molecular configurations and 106888622 atoms, along with various physical properties.
提供机构：
colabfit
