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- ---
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- configs:
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- - config_name: default
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- data_files:
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- - split: orb_direct_20
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- path: data/orb_direct_20-*
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- - split: orb_conserv_inf
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- path: data/orb_conserv_inf-*
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- - split: mace_mp
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- path: data/mace_mp-*
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- - split: uma
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- path: data/uma-*
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- - split: dft
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- path: data/dft-*
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- - split: mace_omat
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- path: data/mace_omat-*
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- dataset_info:
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- features:
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- - name: immutable_id
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- dtype: string
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- - name: energy
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- dtype: float32
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- - name: nsites
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- dtype: int32
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- - name: species_at_sites
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- sequence: string
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- - name: e_above_hull
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- dtype: float64
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- - name: true_energy
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- dtype: float64
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- - name: orb_direct_20_energy
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- dtype: float32
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- - name: orb_conserv_inf_energy
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- dtype: float32
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- - name: uma_energy
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- dtype: float32
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- - name: mace_mp_energy
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- dtype: float32
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- - name: mace_omat_energy
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- dtype: float32
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- splits:
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- - name: orb_direct_20
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- num_bytes: 24528166
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- num_examples: 163735
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- - name: orb_conserv_inf
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- num_bytes: 28688041
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- num_examples: 194240
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- - name: mace_mp
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- num_bytes: 30517735
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- num_examples: 204976
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- - name: uma
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- num_bytes: 25822067
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- num_examples: 173441
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- - name: dft
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- num_bytes: 21737391
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- num_examples: 144127
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- - name: mace_omat
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- num_bytes: 22780599
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- num_examples: 168458
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- download_size: 68396747
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- dataset_size: 154073999
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- ---
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  # LeMat-Bulk MLIP Hull Reference Datasets
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  This dataset contains materials close to the convex hull computed using various ML interatomic potentials (MLIPs).
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  # LeMat-Bulk MLIP Hull Reference Datasets
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  This dataset contains materials close to the convex hull computed using various ML interatomic potentials (MLIPs).