20210730 Updated Aspuru-Guzik SELFIES QM9 Dataset

Name: 20210730 Updated Aspuru-Guzik SELFIES QM9 Dataset
Creator: figshare
Published: 2021-07-30T12:40:11+08:00

DataCite Commons2021-07-30 更新2024-08-18 收录

数据链接：

官方服务：

资源简介：

Contains SELFIES list, onehot encodings (stoi and itos), as well as label encoded (post-0 padded) information in a python dictionary.<br>

提供机构：

创建时间：

2021-07-30