Dataset for iScore: A ML-Based Scoring Function for de novo Drug Discovery
收藏官方服务：
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.
提供机构：
Zenodo创建时间：
2025-02-17
