Upload dataset

README.md

@@ -11,18 +11,84 @@ dataset_info:
     dtype: string
   - name: Group SELFIES
     dtype: string
+  - name: DBPP
+    dtype: float64
+  - name: RA
+    dtype: float64
+  - name: SYBA
+    dtype: float64
+  - name: QED
+    dtype: float64
+  - name: SA
+    dtype: float64
+  - name: NP
+    dtype: float64
+  - name: logP
+    dtype: float64
+  - name: Weight
+    dtype: float64
+  - name: Rings
+    dtype: float64
+  - name: gsk3b_current
+    dtype: float64
+  - name: jnk3_current
+    dtype: float64
+  - name: drd2_current
+    dtype: float64
+  - name: Celecoxib
+    dtype: float64
+  - name: Troglitazone
+    dtype: float64
+  - name: Thiothixene
+    dtype: float64
+  - name: Aripiprazole
+    dtype: float64
+  - name: Albuterol
+    dtype: float64
+  - name: Mestranol
+    dtype: float64
+  - name: Median 1
+    dtype: float64
+  - name: Median 2
+    dtype: float64
+  - name: c7h8n2o2
+    dtype: float64
+  - name: c9h10n2o2pf2cl
+    dtype: float64
+  - name: Osimertinib
+    dtype: float64
+  - name: Fexofenadine
+    dtype: float64
+  - name: Ranolazine
+    dtype: float64
+  - name: Perindopril
+    dtype: float64
+  - name: Amlodipine
+    dtype: float64
+  - name: Sitagliptin
+    dtype: float64
+  - name: Zaleplon
+    dtype: float64
+  - name: valsartan_smarts
+    dtype: float64
+  - name: Deco Hop
+    dtype: float64
+  - name: Scaffold Hop
+    dtype: float64
+  - name: Penalized logP
+    dtype: float64
   splits:
   - name: train
-    num_bytes: 774522489
+    num_bytes: 1098896649
     num_examples: 1228690
   - name: valid
-    num_bytes: 48342839
+    num_bytes: 68629127
     num_examples: 76842
   - name: test
-    num_bytes: 145122785
+    num_bytes: 205923041
     num_examples: 230304
-  download_size: 343140926
-  dataset_size: 967988113
+  download_size: 730840130
+  dataset_size: 1373448817
 configs:
 - config_name: default
   data_files:

data/test-00000-of-00001.parquet

@@ -1,3 +1,3 @@
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-size 51459488
+oid sha256:8bfbdb8f5c5569376c92af3de428a2f2163948c6d2acb4f06ab164970412322b
+size 109580320

data/{train-00000-of-00002.parquet → train-00000-of-00003.parquet}

@@ -1,3 +1,3 @@
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-size 137247415
+oid sha256:9a0c5fa4a6507e3aa74e98d27d0406c569bab92de5feb87ca8187826fbd7fd3f
+size 194903881

data/{train-00001-of-00002.parquet → train-00001-of-00003.parquet}

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
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-size 137290369
+oid sha256:124acdaa7265413a2b4be57464aafa431abc07431d20d68853eda649ac1acbcb
+size 194873174

data/train-00002-of-00003.parquet

@@ -0,0 +1,3 @@
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+size 194940310

data/valid-00000-of-00001.parquet

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-oid sha256:5e4c02ff0aa2cfde02bb7b4942a8b0acf61da100975e09908156ec9a427ec379
-size 17143654
+oid sha256:ac65595804dbfdd4d6c437baab6e8f500d773f7c32c9dc5400866a010b8c85de
+size 36542445