jglaser commited on
Commit
e7b3733
1 Parent(s): b42976b

try switch order of fields

Browse files
Files changed (1) hide show
  1. pdbbind_complexes.py +2 -2
pdbbind_complexes.py CHANGED
@@ -57,7 +57,7 @@ _URLs = {name: _URL+_file_names[name] for name in _file_names}
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  class PDBBindComplexes(datasets.ArrowBasedBuilder):
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  """List of protein sequences, ligand SMILES, and complex coordinates."""
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- VERSION = datasets.Version("1.4.0")
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  def _info(self):
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  # TODO: This method specifies the datasets.DatasetInfo object which contains informations and typings for the dataset
@@ -76,8 +76,8 @@ class PDBBindComplexes(datasets.ArrowBasedBuilder):
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  "name": datasets.Value("string"),
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  "seq": datasets.Value("string"),
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  "smiles": datasets.Value("string"),
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- "ligand_xyz": datasets.Sequence(datasets.Sequence(datasets.Value('float32'))),
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  "receptor_xyz": datasets.Sequence(datasets.Sequence(datasets.Value('float32'))),
 
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  "ligand_rot": datasets.Sequence(datasets.Sequence(datasets.Value('float32'))),
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  "receptor_rot": datasets.Sequence(datasets.Sequence(datasets.Value('float32'))),
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  # These are the features of your dataset like images, labels ...
 
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  class PDBBindComplexes(datasets.ArrowBasedBuilder):
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  """List of protein sequences, ligand SMILES, and complex coordinates."""
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+ VERSION = datasets.Version("1.5.0")
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  def _info(self):
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  # TODO: This method specifies the datasets.DatasetInfo object which contains informations and typings for the dataset
 
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  "name": datasets.Value("string"),
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  "seq": datasets.Value("string"),
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  "smiles": datasets.Value("string"),
 
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  "receptor_xyz": datasets.Sequence(datasets.Sequence(datasets.Value('float32'))),
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+ "ligand_xyz": datasets.Sequence(datasets.Sequence(datasets.Value('float32'))),
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  "ligand_rot": datasets.Sequence(datasets.Sequence(datasets.Value('float32'))),
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  "receptor_rot": datasets.Sequence(datasets.Sequence(datasets.Value('float32'))),
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  # These are the features of your dataset like images, labels ...