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DecoyDB

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YupuZ commited on Oct 21, 2025

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Update README.md

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@@ -21,7 +21,7 @@ Each protein-ligand complex is stored in a nested directory under DecoyDB/, usin
 DecoyDB
 ├── README.md                                              # This file
 ├── merged_decoy_scores.csv                                # RMSD and Vina score for all decoys
-├── structures.zip                                         # Structures for proteins, ligands and decoys
   ├── {prefix}/                                            # {prefix} = first 2 characters of the complex ID (e.g., '1A', '2B')
   │   └── {complex_id}/                                    # Unique identifier for each complex (e.g., 1A2C_H1Q)
   │       ├── {complex_id}_ligand.pdbqt                    # Ligand structure in AutoDock format

 DecoyDB
 ├── README.md                                              # This file
 ├── merged_decoy_scores.csv                                # RMSD and Vina score for all decoys
+├── data.zip                                               # Structures for proteins, ligands and decoys
   ├── {prefix}/                                            # {prefix} = first 2 characters of the complex ID (e.g., '1A', '2B')
   │   └── {complex_id}/                                    # Unique identifier for each complex (e.g., 1A2C_H1Q)
   │       ├── {complex_id}_ligand.pdbqt                    # Ligand structure in AutoDock format