sEH dataset for GFlowNet.
收藏Figshare2023-05-11 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/dataset/sEH_dataset_for_GFlowNet_/22806671/1
下载链接
链接失效反馈官方服务：
资源简介：
Total unique molecule graphs = 34,012,224. Reward is from a proxy model trained to predict binding affinity to soluble epoxide hydrolase from AutoDock. We build using 18 blocks with 2 stems, and use 6 blocks per molecule. <br> block_18_stop6.pkl.gz is a dictionary mapping x (strings) to AutoDock rewards. sehstr_gbtr_allpreds.pkl.gz is a dictionary mapping x (strings) to proxy model rewards.
提供机构：
Shen, Max
创建时间：
2023-05-11
