Update dataset to 660 molecules (60 per task)

README.md

@@ -36,7 +36,7 @@ dataset_info:
       dtype: string
   splits:
     - name: test
-      num_examples: 560
+      num_examples: 660
   configs:
     - config_name: ames
       data_files: "ames/*"
@@ -74,7 +74,7 @@ dataset_info:
 ## Key Features
 
 ### 🧬 Comprehensive Dataset
-- **560 representative toxic molecules** spanning diverse toxicity mechanisms and varying granularities
+- **660 representative toxic molecules** spanning diverse toxicity mechanisms and varying granularities
 - **11 primary toxicity repair tasks** based on [Therapeutics Data Commons (TDC) platform](https://tdcommons.ai/single_pred_tasks/tox/)
 - **Multi-granular coverage**: Tox21 (12 sub-tasks), ToxCast (10 sub-tasks), and 9 additional datasets
 - **Multimodal inputs**: SMILES strings + 2D molecular structure images rendered using RDKit
@@ -96,17 +96,17 @@ The molecular toxicity repair task requires models to:
 ### Task Overview
 | Dataset | Task Type | # Molecules | Description |
 |---------|-----------|-------------|-------------|
-| **AMES** | Binary Classification | 50 | Mutagenicity testing |
-| **Carcinogens** | Binary Classification | 50 | Carcinogenicity prediction |
-| **ClinTox** | Binary Classification | 50 | Clinical toxicity data |
-| **DILI** | Binary Classification | 50 | Drug-induced liver injury |
-| **hERG** | Binary Classification | 50 | hERG channel inhibition |
-| **hERG_Central** | Binary Classification | 50 | Large-scale hERG database with integrated cardiac safety profiles |
-| **hERG_Karim** | Binary Classification | 50 | hERG data from Karim et al. |
-| **LD50_Zhu** | Regression (log(LD50) < 2) | 50 | Acute toxicity |
-| **Skin_Reaction** | Binary Classification | 50 | Adverse skin reactions |
+| **AMES** | Binary Classification | 60 | Mutagenicity testing |
+| **Carcinogens** | Binary Classification | 60 | Carcinogenicity prediction |
+| **ClinTox** | Binary Classification | 60 | Clinical toxicity data |
+| **DILI** | Binary Classification | 60 | Drug-induced liver injury |
+| **hERG** | Binary Classification | 60 | hERG channel inhibition |
+| **hERG_Central** | Binary Classification | 60 | Large-scale hERG database with integrated cardiac safety profiles |
+| **hERG_Karim** | Binary Classification | 60 | hERG data from Karim et al. |
+| **LD50_Zhu** | Regression (log(LD50) < 2) | 60 | Acute toxicity |
+| **Skin_Reaction** | Binary Classification | 60 | Adverse skin reactions |
 | **Tox21** | Binary Classification (12 sub-tasks) | 60 | Nuclear receptors, stress response pathways, and cellular toxicity mechanisms (ARE, p53, ER, AR, etc.) |
-| **ToxCast** | Binary Classification (10 sub-tasks) | 50 | Diverse toxicity pathways including mitochondrial dysfunction, immunosuppression, and neurotoxicity |
+| **ToxCast** | Binary Classification (10 sub-tasks) | 60 | Diverse toxicity pathways including mitochondrial dysfunction, immunosuppression, and neurotoxicity |
 
 ### Data Structure
 Each entry contains:

ames/ames.parquet

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