try switch order of fields
Browse files- 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.
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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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@@ -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 ...
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