Published July 2, 2024
| Version v1
Dataset
Open
100 by 100 Generated Ligands from CrossDocked2020 Benchmark Pockets with DeepICL
Description
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 %
Files
Files
(27.9 MB)
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