Add cyp2d6_substrate_carbonmangels-multimodal config via script

README.md

@@ -1148,6 +1148,42 @@ dataset_info:
     num_examples: 2698
   download_size: 13301041
   dataset_size: 200597697.29999998
+- config_name: cyp2d6_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: CYP2D6_Substrate
+    dtype: int64
+  splits:
+  - name: validation
+    num_bytes: 34814437.23
+    num_examples: 1729
+  - name: train
+    num_bytes: 126469487.81
+    num_examples: 7163
+  - name: test
+    num_bytes: 47526868.26
+    num_examples: 2698
+  download_size: 13693901
+  dataset_size: 208810793.29999998
 - config_name: cyp3a4_substrate_carbonmangels-multimodal
   features:
   - name: IMAGE
@@ -3355,6 +3391,14 @@ configs:
     path: cyp2c9_substrate_carbonmangels-multimodal/train-*
   - split: test
     path: cyp2c9_substrate_carbonmangels-multimodal/test-*
+- config_name: cyp2d6_substrate_carbonmangels-multimodal
+  data_files:
+  - split: validation
+    path: cyp2d6_substrate_carbonmangels-multimodal/validation-*
+  - split: train
+    path: cyp2d6_substrate_carbonmangels-multimodal/train-*
+  - split: test
+    path: cyp2d6_substrate_carbonmangels-multimodal/test-*
 - config_name: cyp3a4_substrate_carbonmangels-multimodal
   data_files:
   - split: validation

cyp2d6_substrate_carbonmangels-multimodal/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
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+size 3141930

cyp2d6_substrate_carbonmangels-multimodal/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:7ce5c01d9ada28e07c958f8ea3d1afb8e56e0004170fbb86e72f0159495fc607
+size 8274741

cyp2d6_substrate_carbonmangels-multimodal/validation-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:d6c03015707f8e176944a5cff6a34682a326b3993f170ce1cdda642176635891
+size 2277230