Add smiles_to_3d-multimodal config via script

README.md

@@ -1286,6 +1286,44 @@ dataset_info:
     num_examples: 6880
   download_size: 26291803
   dataset_size: 483630656.20000005
+- config_name: smiles_to_3d-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: 'Unnamed: 0.1'
+    dtype: int64
+  - name: 'Unnamed: 0'
+    dtype: int64
+  - name: xyz
+    dtype: string
+  - name: mol2000
+    dtype: string
+  - name: mol3000
+    dtype: string
+  - name: is_longer_than_allowed
+    dtype: bool
+  splits:
+  - name: train
+    num_bytes: 8621748522.31
+    num_examples: 448413
+  download_size: 1315925161
+  dataset_size: 8621748522.31
 - config_name: sr_atad5_tox21-multimodal
   features:
   - name: IMAGE
@@ -1731,6 +1769,10 @@ configs:
     path: sarscov2_vitro_touret-multimodal/validation-*
   - split: test
     path: sarscov2_vitro_touret-multimodal/test-*
+- config_name: smiles_to_3d-multimodal
+  data_files:
+  - split: train
+    path: smiles_to_3d-multimodal/train-*
 - config_name: sr_atad5_tox21-multimodal
   data_files:
   - split: train

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