Upload dataset

README.md

@@ -33,21 +33,35 @@ dataset_info:
     dtype: float64
   - name: Cv
     dtype: float64
-  - name: smiles1
+  - name: smiles
     dtype: string
   - name: smiles2
     dtype: string
   - name: isSmilesEqual
     dtype: bool
+  - name: generic_scaffold
+    dtype: string
+  - name: scaffold
+    dtype: string
+  - name: rdkit_WT
+    dtype: float64
+  - name: rdkit_MR
+    dtype: float64
+  - name: rdkit_LogP
+    dtype: float64
+  - name: rdkit_HA
+    dtype: int64
+  - name: rdkit_HD
+    dtype: int64
   splits:
   - name: train
-    num_bytes: 22472564
+    num_bytes: 30658617
     num_examples: 128885
   - name: test
-    num_bytes: 871974
+    num_bytes: 1189537
     num_examples: 5000
-  download_size: 20763826
-  dataset_size: 23344538
+  download_size: 24625023
+  dataset_size: 31848154
 configs:
 - config_name: default
   data_files:

data/test-00000-of-00001.parquet

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
-oid sha256:e1d5c5b3f7e9607bfc26a428d8f7e501fef301a04e4a6163b25de01145d37633
-size 781632
+oid sha256:b9b3183f947a253392af29d9a8bf23791694086e7bbac5d3b7788b216531fd62
+size 925276

data/train-00000-of-00001.parquet

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
-oid sha256:868162a8937baffa14d94a67e0a979fb9721a202359f259da780a4d91231723f
-size 19982194
+oid sha256:a283f3596fb7a2586a4053e1a76eeedd8b52904c913d314d75f11c24c4afc374
+size 23699747