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: 972726113
-    num_examples: 2504372
-  - name: test_molecular_weight
-    num_bytes: 90671486
-    num_examples: 50000
-  - name: test_scaffold
-    num_bytes: 19854926
-    num_examples: 50000
-  - name: test_max_dissimilarity
-    num_bytes: 17051268
-    num_examples: 53827
-  - name: test_random
-    num_bytes: 19551808
-    num_examples: 50000
-  download_size: 386459124
-  dataset_size: 1119855601
 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
 ---