Upload dataset

README.md

@@ -4,34 +4,36 @@ dataset_info:
   features:
   - name: SMILES
     dtype: string
+  - name: pIC50
+    dtype: float64
+  - name: BACE_inhibition
+    dtype: int64
+  - name: split
+    dtype: string
   - name: IMAGE
-    dtype: image
+    dtype: binary
   - name: SELFIES
     dtype: string
   - name: InChI
     dtype: string
   - name: IUPAC
     dtype: string
-  - name: pIC50
-    dtype: float64
-  - name: BACE_inhibition
-    dtype: int64
-  - name: split
+  - name: template
     dtype: string
   - name: __index_level_0__
     dtype: int64
   splits:
   - name: train
-    num_bytes: 15873926
-    num_examples: 1142
+    num_bytes: 160424934
+    num_examples: 11420
   - name: valid
-    num_bytes: 3305112
-    num_examples: 253
+    num_bytes: 33371076
+    num_examples: 2530
   - name: test
-    num_bytes: 1665060
-    num_examples: 118
-  download_size: 20255458
-  dataset_size: 20844098
+    num_bytes: 17243832
+    num_examples: 1180
+  download_size: 202538277
+  dataset_size: 211039842
 configs:
 - config_name: chempile-xtra
   data_files:

chempile-xtra/test-00000-of-00001.parquet

@@ -1,3 +1,3 @@
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-size 1625589
+oid sha256:3929418c978a6ceda69713922aea525bf4d9ff3ce2d9d29a284ef6164384d2eb
+size 16595080

chempile-xtra/train-00000-of-00001.parquet

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
-oid sha256:c56e784b438800c70237d0b588c548b3fb24506f07c6f9fdcd33f36f4073ef09
-size 15422436
+oid sha256:761d302156ad85f887fe5f34550f523602bb998a44844fa3138e13685169adb6
+size 153971744

chempile-xtra/valid-00000-of-00001.parquet

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
-oid sha256:ae1dc58d58417d7ddd3b08978c79390dc3efe1a02b8037bce76e9a34fb56ab8a
-size 3207433
+oid sha256:a58e5338ffa0cb7b02af07b6dcc5460423fc7c0a50103970d0bf07aefeef365a
+size 31971453