colabfit/mlearn_Mo_train
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/mlearn_Mo_train
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资源简介：
mlearn Mo train是一个为机器学习准备的DFT数据集，包含194个独特的仅含Mo元素的分子配置，总共包含10087个原子。数据集包括能量、原子力和Cauchy应力等属性。
mlearn Mo train is a DFT dataset prepared for machine learning, containing 194 unique molecular configurations of Mo, with a total of 10,087 atoms. The dataset includes properties such as energy, atomic forces, and Cauchy stress.
提供机构：
colabfit
