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@@ -62,69 +62,26 @@ then, from within python load the datasets library
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  To load structures from the entire `SAbDab` dataset, use `datasets.load_dataset(...)`:
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- >>> dataset_tag = "train"
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- >>> dataset_models = datasets.load_dataset(
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- path = "ProteinMPNN/SAbDab_raw",
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- name = f"{dataset_tag}_models",
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- data_dir = f"{dataset_tag}")['train']
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  and the dataset is loaded as a `datasets.arrow_dataset.Dataset`
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- >>> dataset_models
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- Dataset({
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- features: [
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- 'pdb',
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- 'Hchain',
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- 'Lchain',
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- 'model',
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- 'antigen_chain',
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- 'antigen_type',
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- 'antigen_het_name',
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- 'antigen_name',
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- 'short_header',
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- 'date',
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- 'compound',
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- 'organism',
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- 'heavy_species',
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- 'light_species',
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- 'antigen_species',
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- 'authors',
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- 'resolution',
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- 'method',
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- 'r_free',
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- 'r_factor',
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- 'scfv',
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- 'engineered',
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- 'heavy_subclass',
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- 'light_subclass',
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- 'light_ctype',
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- 'affinity',
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- 'delta_g',
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- 'affinity_method',
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- 'temperature',
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- 'pmid'
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- 'abangle',
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- 'annotation_H',
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- 'annotation_L',
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- 'imgt_H',
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- 'imgt_L',
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- 'sequence_raw',
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- 'sequence_H',
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- 'sequence_L',
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- 'structure',
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- 'structure_chothia',
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- 'in_nr_set',
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- 'curated_quality_dataset',
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- 'split'
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- ],
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- num_rows: 20701
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  })
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  which is a column oriented format that can be accessed directly, converted in to a `pandas.DataFrame`, or `parquet` format, e.g.
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- >>> dataset_models.data.column('pdb')
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- >>> dataset_models.to_pandas()
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- >>> dataset_models.to_parquet("dataset.parquet")
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  ## Dataset Details
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  To load structures from the entire `SAbDab` dataset, use `datasets.load_dataset(...)`:
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+ >>> SAbDab= datasets.load_dataset("RosettaCommons/SAbDab")
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+ Downloading readme: 7.87kB [00:00, 2.73MB/s]
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+ Downloading data: 100%|█████████████████████████████████████████████████████████████████████████████████████████████████| 15.7M/15.7M [00:01<00:00, 8.22MB/s]
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+ Generating train split: 100%|████████████████████████████████████████████████████████████████████████████████| 20700/20700 [00:00<00:00, 80378.32 examples/s]
 
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  and the dataset is loaded as a `datasets.arrow_dataset.Dataset`
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+ >>> SAbDab
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+ DatasetDict({
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+ train: Dataset({
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+ features: ['pdb', 'Hchain', 'Lchain', 'model', 'antigen_chain', 'antigen_type', 'antigen_het_name', 'antigen_name', 'short_header', 'date', 'compound', 'organism', 'heavy_species', 'light_species', 'antigen_species', 'authors', 'resolution', 'method', 'r_free', 'r_factor', 'scfv', 'engineered', 'heavy_subclass', 'light_subclass', 'light_ctype', 'affinity', 'delta_g', 'affinity_method', 'temperature', 'pmid', 'abangle', 'annotation_H', 'annotation_L', 'imgt_H', 'imgt_L', 'sequence_raw', 'sequence_H', 'sequence_L', 'structure', 'structure_chothia', 'in_nr_set', 'curated_quality_dataset', 'split'],
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+ num_rows: 20700
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+ })
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  })
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  which is a column oriented format that can be accessed directly, converted in to a `pandas.DataFrame`, or `parquet` format, e.g.
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+ >>> SAbDab.data.column('pdb')
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+ >>> SAbDab.to_pandas()
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+ >>> SAbDab.to_parquet("dataset.parquet")
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  ## Dataset Details
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