nimashoghi commited on
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Upload dataset

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README.md ADDED
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+ ---
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+ dataset_info:
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+ features:
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+ - name: numbers
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+ sequence: int64
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+ - name: positions
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+ sequence:
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+ sequence: float32
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+ - name: forces
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+ sequence:
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+ sequence: float32
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+ - name: cell
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+ dtype:
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+ array2_d:
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+ shape:
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+ - 3
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+ - 3
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+ dtype: float32
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+ - name: pbc
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+ sequence: bool
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+ - name: energy
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+ dtype: float32
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+ - name: stress
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+ dtype:
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+ array2_d:
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+ shape:
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+ - 3
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+ - 3
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+ dtype: float32
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+ - name: e_per_atom_relaxed
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+ dtype: float32
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+ - name: mp_id
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+ dtype: string
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+ - name: energy_per_atom
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+ dtype: float32
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+ - name: ef_per_atom_relaxed
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+ dtype: float32
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+ - name: corrected_total_energy
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+ dtype: float32
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+ - name: ef_per_atom
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+ dtype: float32
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+ - name: task_id
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+ dtype: string
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+ - name: calc_id
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+ dtype: int64
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+ - name: ionic_step
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+ dtype: int64
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+ - name: filename
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+ dtype: string
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+ - name: extxyz_id
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+ dtype: int64
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+ - name: num_atoms
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+ dtype: int64
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+ splits:
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+ - name: train
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+ num_bytes: 2283819542.1144104
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+ num_examples: 1559916
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+ - name: val
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+ num_bytes: 14942254.741165342
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+ num_examples: 10206
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+ - name: test
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+ num_bytes: 15040347.144424021
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+ num_examples: 10273
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+ download_size: 1670442618
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+ dataset_size: 2313802143.9999995
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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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+ ---
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