Update README.md

README.md

@@ -1,7 +1,6 @@
 ---
-license: cc-by-4.0
-task_categories:
-  - other
+License: Apache-2.0
+
 tags:
   - biology
   - protein
@@ -12,9 +11,7 @@ tags:
   - sequence
   - curation
 language: en
-size_categories:
-  - n>1M
-# Dataset Viewer dropdown: main table + one option per subset
+
 configs:
 - config_name: main
   data_files: curated_csv/cullpdb_combined_chains.csv
@@ -543,6 +540,12 @@ data_paths:
   metadata: curated_csv/dataset_metadata.json
 ---
 
+# Dataset Description
+
+The PISCES dataset provides curated sets of protein sequences from the Protein Data Bank (PDB) based on user-defined sequence identity and structural quality criteria. PISCES allows users to obtain non-redundant subsets of protein chains by applying filters such as sequence identity, resolution, R-value, chain length, and experiment type (e.g., X-ray, NMR).
+
+Unlike other culling tools that rely on BLAST or global alignments, PISCES uses PSI-BLAST to create position-specific scoring matrices for more accurate detection of homologous relationships, especially below 40% sequence identity. The server supports culling of:
+
 # PISCES-CulledPDB — Curated chain CSVs
 
 Curated protein chain tables derived from PISCES/CullPDB-style lists and FASTA files. One row per chain with sequence, metadata, and curation parameters.
@@ -551,6 +554,34 @@ Curated protein chain tables derived from PISCES/CullPDB-style lists and FASTA f
 
 On the dataset page, use the **subset dropdown** above the table to switch between the main combined table and any of the **242** curation subsets (same columns, different filters).
 
+
+PISCES was created to provide high-quality, non-redundant sets of protein chains for computational analysis. The goal is to maximize structural reliability while minimizing sequence redundancy.
+
+**Source Data**
+
+Protein sequences from the RCSB PDB (mmCIF format, Uniformity Project).
+
+Sequence identity matrices generated using PSI-BLAST against the non-redundant protein database.
+
+PISCES: A Protein Sequence Culling Server https://dunbrack.fccc.edu/pisces/
+
+@article{wang2003pisces,
+  title={PISCES: a protein sequence culling server},
+  author={Wang, Guoying and Dunbrack, Roland L. Jr.},
+  journal={Bioinformatics},
+  volume={19},
+  number={12},
+  pages={1589--1591},
+  year={2003},
+  publisher={Oxford University Press}
+}
+
+Authors contact
+Qifang Xu: Qifang.Xu@fccc.edu
+Roland Dunbrack: Roland.Dunbrack@fccc.edu
+
+
+Recurated in Hugging Face by: Akshaya Narayanasamy (akshayanarayanasamy[at]gmail.com)
 ## Dataset Summary
 
 | Item | Description |
@@ -573,21 +604,21 @@ On the dataset page, use the **subset dropdown** above the table to switch betwe
 
 Each chain row has the following columns:
 
-| Column | Type | Description |
-|--------|------|-------------|
-| **pdb_chain** | string/number | PDB chain ID (e.g. 1ABC_A) |
-| **pdb** | string/number | PDB ID (first 4 chars) |
-| **chain** | string/number | Chain ID |
-| **sequence** | string/number | Amino acid sequence (one-letter) |
-| **len** | string/number | Sequence length |
-| **method** | string/number | Experimental method (e.g. XRAY, NMR) |
-| **resolution** | string/number | Resolution in Å (per structure) |
-| **rfac** | string/number | R-factor |
-| **freerfac** | string/number | Free R-factor |
-| **pc** | string/number | Sequence identity cutoff % used for this subset |
-| **no_breaks** | string/number | Whether chain has no breaks (yes/no) |
-| **R** | string/number | R-factor cutoff used for this subset |
-| **source_list** | string/number | Subset list basename (identifies curation parameters) |
+| Column |Description |
+|--------|-------------|
+| **pdb_chain** |PDB chain ID (e.g. 1ABC_A) |
+| **pdb** | PDB ID (first 4 chars) |
+| **chain** |Chain ID |
+| **sequence** |Amino acid sequence (one-letter) |
+| **len** |Sequence length |
+| **method** |Experimental method (e.g. XRAY, NMR) |
+| **resolution** |Resolution in Å (per structure) |
+| **rfac** |R-factor |
+| **freerfac** |Free R-factor |
+| **pc** |Sequence identity cutoff % used for this subset |
+| **no_breaks** | Whether chain has no breaks (yes/no) |
+| **R** |R-factor cutoff used for this subset |
+| **source_list** |Subset list basename (identifies curation parameters) |
 
 Subset CSVs use the same schema; each file corresponds to one row in the index (one set of parameters: pc, resolution range, no_breaks, R, Nmethods).
 
@@ -640,6 +671,3 @@ df = pd.read_csv(path)
 2. **Build**: For each index row, list and FASTA aligned 1:1 → one chain CSV per subset + combined master CSV
 3. **Filter/visualize**: Optional filtering and summary figures from the master CSV
 
-## License
-
-CC BY 4.0 (or as specified in the repo).