Upload dataset

README.md

@@ -0,0 +1,33 @@
+---
+dataset_info:
+  features:
+  - name: clean_smiles
+    dtype: string
+  - name: id
+    dtype: string
+  - name: value
+    dtype: float64
+  - name: scaffold
+    dtype: string
+  splits:
+  - name: train
+    num_bytes: 1412399638
+    num_examples: 12378792
+  - name: validation
+    num_bytes: 175994570
+    num_examples: 1547349
+  - name: test
+    num_bytes: 171911605
+    num_examples: 1547350
+  download_size: 739740891
+  dataset_size: 1760305813
+configs:
+- config_name: default
+  data_files:
+  - split: train
+    path: data/train-*
+  - split: validation
+    path: data/validation-*
+  - split: test
+    path: data/test-*
+---

data/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:cc1173a55479aee350cf5da3024665071916d6bb17d17c60acbb69d46cbe6419
+size 71762720

data/train-00000-of-00003.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:53b2f93ce7b5f7391c674c4cf54e80aa0c15228ac3e244cb29b96e346f2fc69b
+size 198345234

data/train-00001-of-00003.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:5267ba31bc6f3e0adcc2ea9e154ad0ea538b071b1fbe9ea0cdc17811281f700f
+size 197161266

data/train-00002-of-00003.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:67d77f1a6e3645e1201ff15592df06621d43b895747b25481a359ca1b3229a69
+size 198737025

data/validation-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:0469d3680b130434cfdadfd196809988d7a5f3d13078305fbb845cdbba5d0309
+size 73734646