Add cyp_p450_1a2_inhibition_veith_et_al-multimodal config via script

README.md

@@ -494,6 +494,42 @@ dataset_info:
     num_examples: 2679
   download_size: 10289636
   dataset_size: 152495435.77
+- config_name: cyp_p450_1a2_inhibition_veith_et_al-multimodal
+  features:
+  - name: IMAGE
+    dtype: image
+  - name: template
+    dtype: string
+  - name: template_original
+    dtype: string
+  - name: SMILES
+    dtype: string
+  - name: SMILES_ORIGINAL
+    dtype: string
+  - name: SELFIES
+    dtype: string
+  - name: InChI
+    dtype: string
+  - name: IUPAC
+    dtype: string
+  - name: split
+    dtype: string
+  - name: chembl_id
+    dtype: float64
+  - name: CYP1A2_inhibition
+    dtype: int64
+  splits:
+  - name: test
+    num_bytes: 513826184.6
+    num_examples: 39580
+  - name: train
+    num_bytes: 2248885652.4
+    num_examples: 168720
+  - name: validation
+    num_bytes: 474923847.0
+    num_examples: 34800
+  download_size: 198828699
+  dataset_size: 3237635684.0
 - config_name: hiv-multimodal
   features:
   - name: IMAGE
@@ -775,6 +811,14 @@ configs:
     path: cyp3a4_substrate_carbonmangels-multimodal/train-*
   - split: test
     path: cyp3a4_substrate_carbonmangels-multimodal/test-*
+- config_name: cyp_p450_1a2_inhibition_veith_et_al-multimodal
+  data_files:
+  - split: test
+    path: cyp_p450_1a2_inhibition_veith_et_al-multimodal/test-*
+  - split: train
+    path: cyp_p450_1a2_inhibition_veith_et_al-multimodal/train-*
+  - split: validation
+    path: cyp_p450_1a2_inhibition_veith_et_al-multimodal/validation-*
 - config_name: hiv-multimodal
   data_files:
   - split: train

cyp_p450_1a2_inhibition_veith_et_al-multimodal/test-00000-of-00002.parquet

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