Add cyp3a4_substrate_carbonmangels-multimodal config via script

README.md

@@ -104,6 +104,42 @@ dataset_info:
     num_examples: 330
   download_size: 511908414
   dataset_size: 4601889843.3
+- config_name: cyp3a4_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: CYP3A4_Substrate
+    dtype: int64
+  splits:
+  - name: validation
+    num_bytes: 23046819.7
+    num_examples: 1710
+  - name: train
+    num_bytes: 95550350.34
+    num_examples: 7182
+  - name: test
+    num_bytes: 33898265.73
+    num_examples: 2679
+  download_size: 10289636
+  dataset_size: 152495435.77
 - config_name: hiv-multimodal
   features:
   - name: IMAGE
@@ -197,6 +233,14 @@ configs:
     path: chebi_20-multimodal/validation-*
   - split: test
     path: chebi_20-multimodal/test-*
+- config_name: cyp3a4_substrate_carbonmangels-multimodal
+  data_files:
+  - split: validation
+    path: cyp3a4_substrate_carbonmangels-multimodal/validation-*
+  - split: train
+    path: cyp3a4_substrate_carbonmangels-multimodal/train-*
+  - split: test
+    path: cyp3a4_substrate_carbonmangels-multimodal/test-*
 - config_name: hiv-multimodal
   data_files:
   - split: train

cyp3a4_substrate_carbonmangels-multimodal/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
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+size 2273912

cyp3a4_substrate_carbonmangels-multimodal/train-00000-of-00001.parquet

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+oid sha256:4ecd5028e5bbe57cb96c6e2d09496257bc739268577ea3b0267a05f4fc106314
+size 6448627

cyp3a4_substrate_carbonmangels-multimodal/validation-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:2e7fcf12e2b97fbc5d7a44fcabe545e23950bd61ebb30c3469886f759e97bb3a
+size 1567097