colabfit/OMol25_train
收藏Hugging Face2025-11-04 更新2025-11-15 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/OMol25_train
下载链接
链接失效反馈官方服务：
资源简介：
OMol25 train是OMol25的完整大小训练集。OMol25代表了覆盖生物分子、金属配合物、电解质和社区数据集的最大高质量分子DFT数据集。OMol25是在ω B97M-V/def2-TZVPD理论水平下生成的。
The full-size training set from OMol25. OMol25 represents the largest high quality molecular DFT dataset spanning biomolecules, metal complexes, electrolytes, and community datasets. OMol25 was generated at the ω B97M-V/def2-TZVPD level of theory.
提供机构：
colabfit
