Change split from train to test for benchmark evaluation

README.md

@@ -69,7 +69,7 @@ ames_dataset = load_dataset("treasurels/ToxiMol-benchmark", "ames")
 tox21_dataset = load_dataset("treasurels/ToxiMol-benchmark", "tox21")
 
 # Access the data
-for example in ames_dataset['train']:
+for example in ames_dataset['test']:
     print(f"Task: {example['task']}")
     print(f"ID: {example['id']}")
     print(f"SMILES: {example['smiles']}")
@@ -132,4 +132,4 @@ This work contributes to the intersection of:
 - **Multimodal Large Language Models** in scientific domains
 - **Molecular toxicity prediction** and **ADMET modeling**
 - **Structure-based drug design** and **molecular optimization**
-- **Automated evaluation frameworks** for molecular generation tasks 
+- **Automated evaluation frameworks** for molecular generation tasks

ToxiMol.py

@@ -96,10 +96,10 @@ class ToxiMol(datasets.GeneratorBasedBuilder):
 
     def _split_generators(self, dl_manager):
         """Returns SplitGenerators."""
-        # This dataset doesn't have predefined splits, so we use a single split
+        # This dataset is for benchmark evaluation, so we use test split
         return [
             datasets.SplitGenerator(
-                name=datasets.Split.TRAIN,
+                name=datasets.Split.TEST,
                 gen_kwargs={"subdataset": self.config.name},
             ),
         ]

dataset_infos.json

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
-oid sha256:84bfe6620db6748f919a42e1582ab16cdf603fd37dbc2f9158bb36e90a86cd19
-size 14255
+oid sha256:b75be7e6c53c2229d57a04a750fc772ee4fbc08c36c56f74cfc74cc03ed76d66
+size 14233