Published July 2, 2024
| Version v1
Dataset
Open
100 by 100 Generated Ligands from CrossDocked2020 Benchmark Pockets with DeepICL
Authors/Creators
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)
| Name | Size | Download all |
|---|---|---|
|
md5:f3a2584baf73231e80a12c8bb5ececee
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27.9 MB | Download |
Additional details
Software
- Programming language
- Python