Update README.md

README.md

@@ -1,21 +1,57 @@
 ---
 license: mit
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-# DMS-Fold2
+
+# DMS-Fold2 Benchmark Dataset
+
+This repository contains the benchmark datasets used to evaluate **DMS-Fold2**. The files are organized into two benchmark sets:
+
+- **CASP/CAMEO targets** (`casp_cameo_targets/`)
+- **Mega-scale targets** (`megascale_targets/`)
+
+Each target includes the sequence and experimental data required to reproduce the benchmark inputs.
 
 ## Directory Structure
 
 ```text
-megascale_targets/
-    Alignments, Fastas, PDBs, and DMS CSVs for the mega-scale targets.
-
-casp_cameo_targets/
-    Alignments, Fastas, PDBs, and DMS CSVs for the CASP14/CASP15/CAMEO targets.
+paper_benchmarks/
+├── casp_cameo_targets/
+│   ├── alignments.tar.gz
+│   ├── fastas/
+│   └── sm_csvs/
+└── megascale_targets/
+    ├── alignments.tar.gz
+    ├── fastas/
+    └── sm_csvs/
 ```
 
-## Description
+## Contents
+
+### `alignments.tar.gz`
+
+Compressed archive containing one directory per protein target with precomputed multiple sequence alignments (MSAs).
+
+### `fastas/`
+
+FASTA sequences for each benchmark protein.
+
+### `sm_csvs/`
 
-- **`alignments.tar.gz`** contains protein-named directories with precomputed MSAs. 
-- **`fastas/`** contains the fastas files of protein targets.
-- **`sm_csvs/`** contains the single-mutant DMS CSVs of protein targets.
-- **`dm_csvs/`** contains the double-mutant DMS CSVs of protein targets.
+Single-mutant deep mutational scanning (DMS) datasets used as input to DMS-Fold2.
+
+## Benchmark Sets
+
+### `megascale_targets`
+
+Benchmark proteins selected from the Mega-scale DMS collection.
+
+### `casp_cameo_targets`
+
+Benchmark proteins from CASP14, CASP15, and CAMEO.
+
+## Citation
+
+If you use this dataset, please cite the accompanying DMS-Fold2 publication.
+
+``` TBD
+```