Dataset for iScore: A ML-Based Scoring Function for de novo Drug Discovery
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://zenodo.org/record/14865256
下载链接
链接失效反馈官方服务：
资源简介：
DUD-E_prepared.zip: contains the prepared structures (pdbs and SMILES) for the DUD-E dataset user for re-evaluating the screening power of the model.
Target-fishing_prepared.zip: contains the prepared structures (pdbs and sdf) for the target fishing dataset user for evaluating the target fishing performance of the model.
创建时间：
2025-02-17
