Add cyp_p450_2c9_inhibition_veith_et_al-multimodal config via script

README.md

@@ -672,6 +672,42 @@ dataset_info:
     num_examples: 34800
   download_size: 198828699
   dataset_size: 3237635684.0
+- config_name: cyp_p450_2c9_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: CYP2C9_inhibition
+    dtype: int64
+  splits:
+  - name: train
+    num_bytes: 2765587045.2
+    num_examples: 161260
+  - name: validation
+    num_bytes: 583893449.8
+    num_examples: 33540
+  - name: test
+    num_bytes: 642829828.6
+    num_examples: 38280
+  download_size: 241298093
+  dataset_size: 3992310323.6
 - config_name: half_life_obach-multimodal
   features:
   - name: IMAGE
@@ -1429,6 +1465,14 @@ configs:
     path: cyp_p450_1a2_inhibition_veith_et_al-multimodal/train-*
   - split: validation
     path: cyp_p450_1a2_inhibition_veith_et_al-multimodal/validation-*
+- config_name: cyp_p450_2c9_inhibition_veith_et_al-multimodal
+  data_files:
+  - split: train
+    path: cyp_p450_2c9_inhibition_veith_et_al-multimodal/train-*
+  - split: validation
+    path: cyp_p450_2c9_inhibition_veith_et_al-multimodal/validation-*
+  - split: test
+    path: cyp_p450_2c9_inhibition_veith_et_al-multimodal/test-*
 - config_name: half_life_obach-multimodal
   data_files:
   - split: train

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