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EscheWang
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3dcs

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EscheWang commited on
Commit
ea35d9a
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1 Parent(s): dc9e190

Upload dataset

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Files changed (15) hide show
  1. README.md +24 -0
  2. rotation/train-00000-of-00014.parquet +3 -0
  3. rotation/train-00001-of-00014.parquet +3 -0
  4. rotation/train-00002-of-00014.parquet +3 -0
  5. rotation/train-00003-of-00014.parquet +3 -0
  6. rotation/train-00004-of-00014.parquet +3 -0
  7. rotation/train-00005-of-00014.parquet +3 -0
  8. rotation/train-00006-of-00014.parquet +3 -0
  9. rotation/train-00007-of-00014.parquet +3 -0
  10. rotation/train-00008-of-00014.parquet +3 -0
  11. rotation/train-00009-of-00014.parquet +3 -0
  12. rotation/train-00010-of-00014.parquet +3 -0
  13. rotation/train-00011-of-00014.parquet +3 -0
  14. rotation/train-00012-of-00014.parquet +3 -0
  15. rotation/train-00013-of-00014.parquet +3 -0
README.md CHANGED
@@ -20,6 +20,26 @@ dataset_info:
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  num_examples: 14903
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  download_size: 96007912
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  dataset_size: 333811320
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  - config_name: traj_energies
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  features:
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  - name: mol_type
@@ -53,6 +73,10 @@ configs:
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  data_files:
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  - split: train
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  path: chirality/train-*
 
 
 
 
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  - config_name: traj_energies
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  data_files:
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  - split: train
 
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  num_examples: 14903
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  download_size: 96007912
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  dataset_size: 333811320
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+ - config_name: rotation
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+ features:
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+ - name: key
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+ dtype: string
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+ - name: shard
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+ dtype: int32
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+ - name: n_conformers
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+ dtype: int32
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+ - name: offset
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+ dtype: int64
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+ - name: mol_blocks
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+ list: string
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+ - name: torsion_deg
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+ list: float32
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+ splits:
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+ - name: train
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+ num_bytes: 26639308995
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+ num_examples: 1559779
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+ download_size: 7531603014
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+ dataset_size: 26639308995
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  - config_name: traj_energies
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  features:
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  - name: mol_type
 
73
  data_files:
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  - split: train
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  path: chirality/train-*
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+ - config_name: rotation
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+ data_files:
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+ - split: train
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+ path: rotation/train-*
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  - config_name: traj_energies
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  data_files:
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  - split: train
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