Add dataset card

README.md

@@ -1,16 +1,142 @@
 ---
+language:
+  - en
 license: other
-license_name: other
-license_link: LICENSE
+license_name: mixed-see-sources
+task_categories:
+  - image-to-text
 tags:
-- chemistry
+  - chemistry
+  - cheminformatics
+  - ocsr
+  - optical-chemical-structure-recognition
+  - molecule-recognition
+  - smiles
+  - benchmark
+pretty_name: OCSR Benchmarks
+size_categories:
+  - 10K<n<100K
+configs:
+  - config_name: CLEF
+    data_files:
+      - split: test
+        path: CLEF/test-*.parquet
+  - config_name: JPO
+    data_files:
+      - split: test
+        path: JPO/test-*.parquet
+  - config_name: UOB
+    data_files:
+      - split: test
+        path: UOB/test-*.parquet
+  - config_name: USPTO
+    data_files:
+      - split: test
+        path: USPTO/test-*.parquet
+  - config_name: USPTO-10K
+    data_files:
+      - split: test
+        path: USPTO-10K/test-*.parquet
+  - config_name: Staker
+    data_files:
+      - split: test
+        path: Staker/test-*.parquet
+  - config_name: ACS
+    data_files:
+      - split: test
+        path: ACS/test-*.parquet
+  - config_name: WildMol-10K
+    data_files:
+      - split: test
+        path: WildMol-10K/test-*.parquet
+  - config_name: Indigo
+    data_files:
+      - split: test
+        path: Indigo/test-*.parquet
+  - config_name: ChemDraw
+    data_files:
+      - split: test
+        path: ChemDraw/test-*.parquet
 ---
 
-Collected from existing public OCSR benchmarks; please refer to their original sources for license and attribution:
+# OCSR Benchmarks
 
-| Dataset | Source |
-|---------|--------|
-| USPTO, CLEF, JPO, UOB, Staker | [Rajan et al., 2020](https://github.com/Kohulan/OCSR_Review), [Xiong et al., 2023](https://github.com/jiachengxiong/alpha-Extractor) |
-| Indigo, ChemDraw, ACS, Staker | [Qian et al., 2023](https://github.com/thomas0809/MolScribe) |
-| USPTO-10K | [Morin et al., 2023](https://huggingface.co/datasets/docling-project/USPTO-30K) |
-| WildMol-10K | [Fang et al., 2025](https://github.com/orgs/Chem-Struct-ML/repositories) |
+A collection of ten benchmark datasets for **Optical Chemical Structure Recognition (OCSR)** —
+the task of converting chemical structure diagram images into machine-readable SMILES strings.
+
+These benchmarks were used to evaluate the [COMO model](https://huggingface.co/Keylab/COMO)
+(Closed-Loop Optical Molecule Recognition).
+
+## Subsets
+
+| Config | Split | Size | Domain | Source |
+|---|---|---|---|---|
+| `CLEF` | test | 992 | Real (patents) | Rajan et al., 2020 |
+| `JPO` | test | 450 | Real (patents) | Rajan et al., 2020 |
+| `UOB` | test | 5,740 | Real (academic) | Rajan et al., 2020 |
+| `USPTO` | test | 11,430 | Real (patents) | Rajan et al., 2020; Xiong et al., 2023 |
+| `USPTO-10K` | test | 10,000 | Real (patents) | Morin et al., 2023 |
+| `Staker` | test | 50,000 | Real | Qian et al., 2023 |
+| `ACS` | test | 331 | Real (publications) | Qian et al., 2023 |
+| `WildMol-10K` | test | 10,000 | Real (wild) | Fang et al., 2025 |
+| `Indigo` | test | 11,423 | Synthetic | Qian et al., 2023 |
+| `ChemDraw` | test | 5,719 | Synthetic | Qian et al., 2023 |
+
+## Schema
+
+Each sample has three fields:
+
+| Field | Type | Description |
+|---|---|---|
+| `image_id` | `string` | Original identifier for the sample |
+| `image` | `Image` | PNG image of the chemical structure diagram |
+| `SMILES` | `string` | Ground-truth SMILES string |
+
+## Usage
+
+```python
+from datasets import load_dataset
+
+# Load a single benchmark
+ds = load_dataset("Keylab/OCSR-Benchmarks", name="USPTO", split="test")
+sample = ds[0]
+sample["image"].show()   # PIL Image
+print(sample["SMILES"])
+
+# Iterate over all benchmarks
+for config in ["CLEF", "JPO", "UOB", "USPTO", "USPTO-10K",
+               "Staker", "ACS", "WildMol-10K", "Indigo", "ChemDraw"]:
+    ds = load_dataset("Keylab/OCSR-Benchmarks", name=config, split="test")
+    print(f"{config}: {len(ds)} samples")
+```
+
+## Bulk Download
+
+Pre-packaged `.tar.gz` archives (images + CSV) are also available in the
+[COMO model repository](https://huggingface.co/Keylab/COMO/tree/main/benchmarks)
+for direct download without the `datasets` library.
+
+## License
+
+These benchmarks are collected from existing public OCSR datasets.
+Please refer to the original sources for attribution and applicable terms:
+
+| Benchmarks | Reference |
+|---|---|
+| USPTO, CLEF, JPO, UOB | Rajan et al., 2020; Xiong et al., 2023 |
+| Indigo, ChemDraw, ACS, Staker | Qian et al., 2023 |
+| USPTO-10K | Morin et al., 2023 |
+| WildMol-10K | Fang et al., 2025 |
+
+## Citation
+
+If you use these benchmarks, please cite the COMO paper and the original benchmark sources:
+
+```bibtex
+@article{lyu2026closed,
+  title={COMO: Closed-Loop Optical Molecule Recognition with Minimum Risk Training},
+  author={Lyu, Zhuoqi and Ke, Qing},
+  journal={arXiv preprint arXiv:2604.23546},
+  year={2026}
+}
+```