colabfit/Si-H-GAP_reference
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/Si-H-GAP_reference
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资源简介：
Si-H-GAP参考数据集包含了用于Si-H-GAP模型训练评估的氢化硅液体和非晶态的配置集。该数据集包含114个独特的分子配置，共有24895个原子，主要包括氢和硅元素。数据集中还包含了能量、原子力和柯西应力等属性。
Si-H-GAP reference dataset contains configurations of hydrogenated liquid and amorphous silicon used for training evaluation on the Si-H-GAP model. The dataset includes 114 unique molecular configurations, totaling 24,895 atoms, primarily composed of hydrogen and silicon elements. It also includes properties such as energy, atomic forces, and Cauchy stress.
提供机构：
colabfit
