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README.md

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+---
+dataset_info:
+  config_name: Molecule3D_random_split
+  features:
+  - name: index
+    dtype: int64
+  - name: SMILES
+    dtype: string
+  - name: sdf
+    dtype: string
+  - name: cid
+    dtype: int64
+  - name: dipole x
+    dtype: float64
+  - name: dipole y
+    dtype: float64
+  - name: dipole z
+    dtype: float64
+  - name: homo
+    dtype: float64
+  - name: lumo
+    dtype: float64
+  - name: Y
+    dtype: float64
+  - name: scf energy
+    dtype: float64
+  splits:
+  - name: train
+    num_bytes: 3175756092
+    num_examples: 2339728
+  - name: test
+    num_bytes: 1058783091
+    num_examples: 779895
+  - name: validation
+    num_bytes: 1058496510
+    num_examples: 779903
+  download_size: 1881829100
+  dataset_size: 5293035693
+configs:
+- config_name: Molecule3D_random_split
+  data_files:
+  - split: train
+    path: Molecule3D_random_split/train-*
+  - split: test
+    path: Molecule3D_random_split/test-*
+  - split: validation
+    path: Molecule3D_random_split/validation-*
+---