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nimashoghi
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qm9

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nimashoghi commited on
Commit
433efa1
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Upload dataset

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Files changed (4) hide show
  1. README.md +76 -0
  2. data/test-00000-of-00001.parquet +3 -0
  3. data/train-00000-of-00001.parquet +3 -0
  4. data/val-00000-of-00001.parquet +3 -0
README.md ADDED
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+ ---
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+ dataset_info:
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+ features:
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+ - name: pos
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+ sequence:
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+ sequence: float32
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+ - name: atomic_numbers
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+ sequence: int64
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+ - name: mu
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+ sequence: float32
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+ - name: alpha
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+ sequence: float32
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+ - name: eps_HOMO
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+ sequence: float32
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+ - name: eps_LUMO
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+ sequence: float32
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+ - name: delta_eps
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+ sequence: float32
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+ - name: R_2_Abs
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+ sequence: float32
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+ - name: ZPVE
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+ sequence: float32
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+ - name: U_0
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+ sequence: float32
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+ - name: U
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+ sequence: float32
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+ - name: H
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+ sequence: float32
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+ - name: G
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+ sequence: float32
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+ - name: c_v
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+ sequence: float32
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+ - name: U_0_ATOM
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+ sequence: float32
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+ - name: U_ATOM
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+ sequence: float32
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+ - name: H_ATOM
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+ sequence: float32
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+ - name: G_ATOM
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+ sequence: float32
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+ - name: A
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+ sequence: float32
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+ - name: B
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+ sequence: float32
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+ - name: C
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+ sequence: float32
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+ - name: tags
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+ sequence: int64
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+ - name: natoms
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+ dtype: int64
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+ - name: id
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+ dtype: string
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+ - name: composition
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+ sequence: int64
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+ splits:
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+ - name: train
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+ num_bytes: 191026452
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+ num_examples: 110831
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+ - name: val
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+ num_bytes: 17227028
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+ num_examples: 10000
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+ - name: test
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+ num_bytes: 17204596
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+ num_examples: 10000
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+ download_size: 48727544
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+ dataset_size: 225458076
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+ configs:
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+ - config_name: default
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+ data_files:
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+ - split: train
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+ path: data/train-*
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+ - split: val
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+ path: data/val-*
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+ - split: test
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+ path: data/test-*
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+ ---
data/test-00000-of-00001.parquet ADDED
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+ size 3720086
data/train-00000-of-00001.parquet ADDED
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data/val-00000-of-00001.parquet ADDED
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