Upload dataset

README.md

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+---
+dataset_info:
+  features:
+  - name: index
+    dtype: int64
+  - name: A
+    dtype: float64
+  - name: B
+    dtype: float64
+  - name: C
+    dtype: float64
+  - name: mu
+    dtype: float64
+  - name: alpha
+    dtype: float64
+  - name: homo
+    dtype: float64
+  - name: lumo
+    dtype: float64
+  - name: gap
+    dtype: float64
+  - name: r2
+    dtype: float64
+  - name: zpve
+    dtype: float64
+  - name: U0
+    dtype: float64
+  - name: U
+    dtype: float64
+  - name: H
+    dtype: float64
+  - name: G
+    dtype: float64
+  - name: Cv
+    dtype: float64
+  - name: smiles
+    dtype: string
+  - name: canonsmiles
+    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: float64
+  - name: rdkit_HD
+    dtype: float64
+  splits:
+  - name: train
+    num_bytes: 29469384.608357918
+    num_examples: 123885
+  - name: test
+    num_bytes: 1189384.6958210405
+    num_examples: 5000
+  - name: validation
+    num_bytes: 1189384.6958210405
+    num_examples: 5000
+  download_size: 24618160
+  dataset_size: 31848153.999999996
+configs:
+- config_name: default
+  data_files:
+  - split: train
+    path: data/train-*
+  - split: test
+    path: data/test-*
+  - split: validation
+    path: data/validation-*
+---

data/test-00000-of-00001.parquet

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+size 922029

data/train-00000-of-00001.parquet

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+size 22773020

data/validation-00000-of-00001.parquet

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