Fully enumerated randomized SMILES of Molecular Sets (MOSES)
收藏Zenodo2026-06-20 更新2026-06-21 收录
下载链接：
https://zenodo.org/doi/10.5281/zenodo.18874640
下载链接
链接失效反馈官方服务：
资源简介：
This database contains the 6,728,175,784 enumerated SMILES set of the 1,9 millions molecules contained in the MOSES database. it is partitioned in 100 parquet files with the following schema :
smiles (str), which contains the canonical smiles of the molecule
unique_smiles (str), which contains the unique randomized SMILES
split (str), the set of smiles , i.e. training,test,scaffolds
提供机构：
Zenodo创建时间：
2026-06-20
