Upload dataset

README.md

@@ -196,6 +196,34 @@ dataset_info:
     num_examples: 15
   download_size: 1987562
   dataset_size: 1985290.0
+- config_name: isomers-w-smiles
+  features:
+  - name: uuid
+    dtype: string
+  - name: image
+    dtype: image
+  - name: canary
+    dtype: string
+  - name: name
+    dtype: string
+  - name: description
+    dtype: string
+  - name: keywords
+    sequence: string
+  - name: preferred_score
+    dtype: string
+  - name: metrics
+    sequence: string
+  - name: examples
+    sequence: string
+  - name: relative_tolerance
+    dtype: float32
+  splits:
+  - name: train
+    num_bytes: 2016315.0
+    num_examples: 20
+  download_size: 1983825
+  dataset_size: 2016315.0
 - config_name: mof-adsorption-strength-comparison-wo-terminology
   features:
   - name: uuid
@@ -841,6 +869,10 @@ configs:
   data_files:
   - split: train
     path: isomers-3d/train-*
+- config_name: isomers-w-smiles
+  data_files:
+  - split: train
+    path: isomers-w-smiles/train-*
 - config_name: mof-adsorption-strength-comparison-wo-terminology
   data_files:
   - split: train

isomers-w-smiles/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:099176c277842f9c784553758540894d1b80d30c647c70721ed61269c9dc1923
+size 1983825