Upload dataset
Browse files- README.md +49 -0
- data/2M-00000-of-00014.parquet +3 -0
- data/2M-00001-of-00014.parquet +3 -0
- data/2M-00002-of-00014.parquet +3 -0
- data/2M-00003-of-00014.parquet +3 -0
- data/2M-00004-of-00014.parquet +3 -0
- data/2M-00005-of-00014.parquet +3 -0
- data/2M-00006-of-00014.parquet +3 -0
- data/2M-00007-of-00014.parquet +3 -0
- data/2M-00008-of-00014.parquet +3 -0
- data/2M-00009-of-00014.parquet +3 -0
- data/2M-00010-of-00014.parquet +3 -0
- data/2M-00011-of-00014.parquet +3 -0
- data/2M-00012-of-00014.parquet +3 -0
- data/2M-00013-of-00014.parquet +3 -0
- data/val-00000-of-00007.parquet +3 -0
- data/val-00001-of-00007.parquet +3 -0
- data/val-00002-of-00007.parquet +3 -0
- data/val-00003-of-00007.parquet +3 -0
- data/val-00004-of-00007.parquet +3 -0
- data/val-00005-of-00007.parquet +3 -0
- data/val-00006-of-00007.parquet +3 -0
README.md
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---
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dataset_info:
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features:
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- name: sid
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dtype: string
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- name: fid
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dtype: string
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- name: reference_energy
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dtype: float64
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- name: num_atoms
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dtype: int64
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- name: atomic_numbers
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sequence: int64
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- name: pos
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sequence:
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sequence: float32
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- name: energy
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dtype: float64
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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: fixed
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sequence: bool
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- name: tags
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sequence: int32
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splits:
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- name: 2M
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num_bytes: 6712570524
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num_examples: 2000000
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- name: val
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num_bytes: 3351823271
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num_examples: 999866
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download_size: 7633553630
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dataset_size: 10064393795
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configs:
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- config_name: default
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data_files:
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- split: 2M
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path: data/2M-*
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- split: val
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path: data/val-*
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---
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data/2M-00000-of-00014.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:eea7acd1b3f8dc480b06c975fcaa491b63ba76187446699cfd7f8a7b53d15f55
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size 363063757
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data/2M-00001-of-00014.parquet
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version https://git-lfs.github.com/spec/v1
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size 363841430
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data/2M-00002-of-00014.parquet
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data/2M-00004-of-00014.parquet
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data/2M-00006-of-00014.parquet
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