Upload dataset

README.md

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+---
+dataset_info:
+  features:
+  - name: smiles
+    dtype: string
+  - name: logP
+    dtype: float64
+  - name: qed
+    dtype: float64
+  - name: SAS
+    dtype: float64
+  - name: canonical_smiles
+    dtype: string
+  - name: single_bond
+    dtype: int64
+  - name: double_bond
+    dtype: int64
+  - name: triple_bond
+    dtype: int64
+  - name: aromatic_bond
+    dtype: int64
+  - name: ring_count
+    dtype: int64
+  - name: R3
+    dtype: int64
+  - name: R4
+    dtype: int64
+  - name: R5
+    dtype: int64
+  - name: R6
+    dtype: int64
+  - name: R7
+    dtype: int64
+  - name: R8
+    dtype: int64
+  - name: R9
+    dtype: int64
+  - name: R10
+    dtype: int64
+  - name: R12
+    dtype: int64
+  - name: R13
+    dtype: int64
+  - name: R14
+    dtype: int64
+  - name: R15
+    dtype: int64
+  - name: R18
+    dtype: int64
+  - name: R24
+    dtype: int64
+  splits:
+  - name: train
+    num_bytes: 61223067
+    num_examples: 224568
+  - name: validation
+    num_bytes: 6784626
+    num_examples: 24887
+  download_size: 22056296
+  dataset_size: 68007693
+configs:
+- config_name: default
+  data_files:
+  - split: train
+    path: data/train-*
+  - split: validation
+    path: data/validation-*
+---

data/train-00000-of-00001.parquet

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+oid sha256:ddc42dfbed26d777b7e3931ea8281e7f3e0dac562f1d9a5b5f336172aedfad1b
+size 19851478

data/validation-00000-of-00001.parquet

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+oid sha256:26fdc366cba2ebe467e1aa637e08d8c1584cc0b82689fdfa3fdd9ccac96ac6b9
+size 2204818