Upload dataset

README.md

@@ -1,8 +1,6 @@
 ---
 dataset_info:
   features:
-  - name: SMILES
-    dtype: large_string
   - name: ID
     dtype: large_string
   - name: smiles
@@ -13,22 +11,22 @@ dataset_info:
     dtype: string
   splits:
   - name: train
-    num_bytes: 528844149
-    num_examples: 1676129
+    num_bytes: 448532692
+    num_examples: 1676117
   - name: test_molecular_weight
-    num_bytes: 15775759
+    num_bytes: 15599539
     num_examples: 50000
   - name: test_scaffold
-    num_bytes: 15775759
-    num_examples: 50000
+    num_bytes: 13590340
+    num_examples: 50001
   - name: test_max_dissimilarity
-    num_bytes: 15501892
-    num_examples: 49132
+    num_bytes: 12910256
+    num_examples: 49143
   - name: test_random
-    num_bytes: 15775759
+    num_bytes: 13531643
     num_examples: 50000
-  download_size: 219918129
-  dataset_size: 591673318
+  download_size: 149643593
+  dataset_size: 504164470
 configs:
 - config_name: default
   data_files:

data/test_max_dissimilarity-00000-of-00001.parquet

@@ -1,3 +1,3 @@
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-size 5155875
+oid sha256:4543fa46979f708d83b48a03efa256fadadfb1cd1e6cc51c0128237111c89c58
+size 3839669

data/test_molecular_weight-00000-of-00001.parquet

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
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-size 6059085
+oid sha256:4af110b3a3de5cc4192c16869c59b7b987f01938a3fc31fdbedc235608063bbc
+size 5166856

data/test_random-00000-of-00001.parquet

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-size 6058786
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+size 4755798

data/test_scaffold-00000-of-00001.parquet

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 version https://git-lfs.github.com/spec/v1
-oid sha256:7aebf99c0278404186f427473ddab74a6bacf46a6954c0bb3533aaf6f6b34e22
-size 5419757
+oid sha256:4e6ca071a0e08645caa610b90190d5bbbb9008672d5865fc2c4aee24a2737cf3
+size 4383436

data/train-00000-of-00001.parquet

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
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-size 197224626
+oid sha256:5847e5367a86851f09aaa2d098bc55efca8f79ee706b8dbfa1ed921ca5f6f11d
+size 131497834