Upload dataset
Browse files- README.md +8 -4
- compatible_pbe/{train-00000-of-00019.parquet → train-00000-of-00018.parquet} +2 -2
- compatible_pbe/{train-00002-of-00019.parquet → train-00001-of-00018.parquet} +2 -2
- compatible_pbe/{train-00003-of-00019.parquet → train-00002-of-00018.parquet} +2 -2
- compatible_pbe/train-00003-of-00018.parquet +3 -0
- compatible_pbe/train-00004-of-00018.parquet +3 -0
- compatible_pbe/train-00004-of-00019.parquet +0 -3
- compatible_pbe/train-00005-of-00018.parquet +3 -0
- compatible_pbe/{train-00005-of-00019.parquet → train-00006-of-00018.parquet} +2 -2
- compatible_pbe/train-00006-of-00019.parquet +0 -3
- compatible_pbe/{train-00001-of-00019.parquet → train-00007-of-00018.parquet} +2 -2
- compatible_pbe/train-00007-of-00019.parquet +0 -3
- compatible_pbe/train-00008-of-00018.parquet +3 -0
- compatible_pbe/train-00008-of-00019.parquet +0 -3
- compatible_pbe/train-00009-of-00018.parquet +3 -0
- compatible_pbe/train-00009-of-00019.parquet +0 -3
- compatible_pbe/train-00010-of-00018.parquet +3 -0
- compatible_pbe/train-00010-of-00019.parquet +0 -3
- compatible_pbe/train-00011-of-00018.parquet +3 -0
- compatible_pbe/train-00011-of-00019.parquet +0 -3
- compatible_pbe/train-00012-of-00018.parquet +3 -0
- compatible_pbe/train-00012-of-00019.parquet +0 -3
- compatible_pbe/train-00013-of-00018.parquet +3 -0
- compatible_pbe/train-00013-of-00019.parquet +0 -3
- compatible_pbe/train-00014-of-00018.parquet +3 -0
- compatible_pbe/train-00014-of-00019.parquet +0 -3
- compatible_pbe/train-00015-of-00018.parquet +3 -0
- compatible_pbe/train-00015-of-00019.parquet +0 -3
- compatible_pbe/{train-00018-of-00019.parquet → train-00016-of-00018.parquet} +2 -2
- compatible_pbe/train-00016-of-00019.parquet +0 -3
- compatible_pbe/train-00017-of-00018.parquet +3 -0
- compatible_pbe/train-00017-of-00019.parquet +0 -3
    	
        README.md
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    | @@ -39,6 +39,8 @@ dataset_info: | |
| 39 | 
             
                  sequence: float64
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| 40 | 
             
              - name: energy
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| 41 | 
             
                dtype: float64
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|  | |
|  | |
| 42 | 
             
              - name: magnetic_moments
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| 43 | 
             
                sequence: float64
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| 44 | 
             
              - name: forces
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| @@ -46,6 +48,8 @@ dataset_info: | |
| 46 | 
             
                  sequence: float64
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| 47 | 
             
              - name: total_magnetization
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| 48 | 
             
                dtype: float64
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|  | |
| 49 | 
             
              - name: dos_ef
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| 50 | 
             
                dtype: float64
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| 51 | 
             
              - name: functional
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| @@ -58,10 +62,10 @@ dataset_info: | |
| 58 | 
             
                dtype: int32
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| 59 | 
             
              splits:
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              - name: train
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                num_bytes:  | 
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                num_examples:  | 
| 63 | 
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              download_size:  | 
| 64 | 
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| 65 | 
             
            - config_name: compatible_pbesol
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| 66 | 
             
              features:
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              - name: elements
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| 39 | 
             
                  sequence: float64
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| 40 | 
             
              - name: energy
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                dtype: float64
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            +
              - name: energy_corrected
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                dtype: float64
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| 44 | 
             
              - name: magnetic_moments
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                sequence: float64
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              - name: forces
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                  sequence: float64
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              - name: total_magnetization
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                dtype: float64
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              - name: dos_ef
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                dtype: float64
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              - name: functional
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| 62 | 
             
                dtype: int32
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              splits:
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              - name: train
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| 65 | 
            +
                num_bytes: 8719341729
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| 66 | 
            +
                num_examples: 5370198
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| 67 | 
            +
              download_size: 3135690268
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| 68 | 
            +
              dataset_size: 8719341729
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| 69 | 
             
            - config_name: compatible_pbesol
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              features:
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              - name: elements
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