Add dataset card

README.md

@@ -1,43 +1,15 @@
 ---
-dataset_info:
-  features:
-  - name: ID
-    dtype: large_string
-  - name: smiles
-    dtype: string
-  - name: selfies
-    dtype: string
-  - name: safe
-    dtype: string
-  splits:
-  - name: train
-    num_bytes: 448532692
-    num_examples: 1676117
-  - name: test_molecular_weight
-    num_bytes: 15599539
-    num_examples: 50000
-  - name: test_scaffold
-    num_bytes: 13590340
-    num_examples: 50001
-  - name: test_max_dissimilarity
-    num_bytes: 12910256
-    num_examples: 49143
-  - name: test_random
-    num_bytes: 13531643
-    num_examples: 50000
-  download_size: 149643593
-  dataset_size: 504164470
 configs:
-- config_name: default
-  data_files:
-  - split: train
-    path: data/train-*
-  - split: test_molecular_weight
-    path: data/test_molecular_weight-*
-  - split: test_scaffold
-    path: data/test_scaffold-*
-  - split: test_max_dissimilarity
-    path: data/test_max_dissimilarity-*
-  - split: test_random
-    path: data/test_random-*
+  - config_name: default
+    data_files:
+      - split: train
+        path: data/train-*.parquet
+      - split: test_molecular_weight
+        path: data/test_molecular_weight-*.parquet
+      - split: test_scaffold
+        path: data/test_scaffold-*.parquet
+      - split: test_max_dissimilarity
+        path: data/test_max_dissimilarity-*.parquet
+      - split: test_random
+        path: data/test_random-*.parquet
 ---