Datasets:
Tasks:
Feature Extraction
Modalities:
Text
Formats:
csv
Languages:
English
Size:
10K - 100K
License:
Update README.md
Browse files
README.md
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│ ├── {complex_id}_decoys.pdbqt # Concatenated decoy structures
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│ └── {complex_id}_decoys_scores.csv # Corresponding RMSD scores for each decoy
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```
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The data.zip can be found in
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## Dataset Details
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### Dataset Refinement
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To construct DecoyDB, we first filtered protein–ligand complexes from the Protein Data Bank (PDB) with a resolution ≤ 2.5 Å and applied the following refinement steps:
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│ ├── {complex_id}_decoys.pdbqt # Concatenated decoy structures
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│ └── {complex_id}_decoys_scores.csv # Corresponding RMSD scores for each decoy
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```
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The data.zip can be found in assets branch.
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## Dataset Details
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### Dataset Refinement
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To construct DecoyDB, we first filtered protein–ligand complexes from the Protein Data Bank (PDB) with a resolution ≤ 2.5 Å and applied the following refinement steps:
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