Update README.md

README.md

@@ -23,10 +23,10 @@ configs:
 
 # SwissSidechain Residues
 
-This dataset contains a viewer-friendly Parquet table derived from the SwissSidechain archives in this repository. Each row is one unique residue entry from the L or D SMI archives, with parsed availability and summary fields for PDB, MOL2, CHARMM topology, GROMACS RTP/HDB, bundle files, and rotamer libraries.
+SwissSideChain is a molecular and structural database of non-natural amino-acid sidechains, including structures, rotamers, and molecular mechanics parameters.
 
+This dataset contains a viewer-friendly Parquet table derived from the SwissSidechain archives in this repository. Each row is one unique residue entry from the L or D SMI archives, with parsed availability and summary fields for PDB, MOL2, CHARMM topology, GROMACS RTP/HDB, bundle files, and rotamer libraries.
 The original ZIP archives remain in the repository. The default `datasets` configuration uses the normalized Parquet files under `data/` so that the Hugging Face Dataset Viewer and `load_dataset()` can read the residue table directly.
-
 The source library comments state that the SwissSidechain entries are copyright of the Swiss Institute of Bioinformatics, with non-profit use allowed when the content is not modified and the copyright statement is retained. Commercial use requires a license agreement. Check the original SwissSidechain terms before commercial use.
 
 ## Splits
@@ -201,6 +201,17 @@ print(manifest)
 | `bbdep_rotamer_rows` | Rows in the backbone-dependent rotamer library for this residue code. |
 | `split_bucket` | Deterministic split bucket from `sha256(entry_id) % 10`. |
 
-## Preparation
+# Citation
 
-The normalization script used to create the Parquet files is included at `scripts/prepare_swisssidechain_dataset.py`.
+```
+@article{gfeller2013swisssidechain,
+  title   = {{SwissSidechain}: a molecular and structural database of non-natural sidechains},
+  author  = {Gfeller, David and Michielin, Olivier and Zoete, Vincent},
+  journal = {Nucleic Acids Research},
+  volume  = {41},
+  number  = {D1},
+  pages   = {D327--D332},
+  year    = {2013},
+  doi     = {10.1093/nar/gks991}
+}
+```