Add cyp2c9_substrate_carbonmangels-multimodal config via script

README.md

@@ -1078,6 +1078,42 @@ dataset_info:
     num_examples: 3534
   download_size: 23562688
   dataset_size: 351753633.29
+- config_name: cyp2c9_substrate_carbonmangels-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: compound_name
+    dtype: string
+  - name: CYP2C9_Substrate
+    dtype: int64
+  splits:
+  - name: validation
+    num_bytes: 31482836.23
+    num_examples: 1729
+  - name: train
+    num_bytes: 124353079.81
+    num_examples: 7163
+  - name: test
+    num_bytes: 44761781.26
+    num_examples: 2698
+  download_size: 13301041
+  dataset_size: 200597697.29999998
 - config_name: cyp3a4_substrate_carbonmangels-multimodal
   features:
   - name: IMAGE
@@ -3125,6 +3161,14 @@ configs:
     path: clintox-multimodal/test-*
   - split: validation
     path: clintox-multimodal/validation-*
+- config_name: cyp2c9_substrate_carbonmangels-multimodal
+  data_files:
+  - split: validation
+    path: cyp2c9_substrate_carbonmangels-multimodal/validation-*
+  - split: train
+    path: cyp2c9_substrate_carbonmangels-multimodal/train-*
+  - split: test
+    path: cyp2c9_substrate_carbonmangels-multimodal/test-*
 - config_name: cyp3a4_substrate_carbonmangels-multimodal
   data_files:
   - split: validation

cyp2c9_substrate_carbonmangels-multimodal/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
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+size 2995946

cyp2c9_substrate_carbonmangels-multimodal/train-00000-of-00001.parquet

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+size 8273689

cyp2c9_substrate_carbonmangels-multimodal/validation-00000-of-00001.parquet

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+size 2031406