100 by 100 Generated Ligands from CrossDocked2020 Benchmark Pockets with DeepICL
收藏NIAID Data Ecosystem2026-05-02 收录
数据链接：
官方服务：
资源简介：
100 ligands are generated for each pocket in CrossDocked2020 benchmark set, following the splitting method of [Luo et al.](https://arxiv.org/pdf/2203.10446) Note that DeepICL was trained on PDBbind v.2020, thus an overlap of pockets between the training set and CrossDocked2020 test set may exist. Validity: 99.08 % Uniqueness: 98.67 % Novelty: 99.18 %
创建时间：
2024-07-02
