Update README.md

README.md

@@ -20,7 +20,7 @@ Each protein-ligand complex is stored in a nested directory under DecoyDB/, usin
 ```plaintext
 DecoyDB
 ├── README.md                                              # This file
-├── merged_decoy_scores.csv                                # RMSD and Vina score for all decoys
+├── complexes.csv                                          # Complex ID and paths for the data
 ├── 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)
@@ -29,6 +29,7 @@ DecoyDB
   │       ├── {complex_id}_decoys.pdbqt                    # Concatenated decoy structures
   │       └── {complex_id}_decoys_scores.csv               # Corresponding RMSD scores for each decoy
 ```
+The data.zip can be found in asset branch.
 ## Dataset Details
 ### Dataset Refinement
 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: