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README.md
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Each entry in the dataset contains the following keys:
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['token_type_ids'] A mask that corresponds to which inputs_ids/coords belong to the two individual proteins involved in the complex (0 for protein 1 , 1 for protein 2)
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['atoms_pairs'] (pandas.DataFrame) Atom coordinates of the complexes.
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['atoms_neighbors'] (pandas.DataFrame) Indicates which amino acids interacting in each complex.
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['id'] (str) Contains the PDB filenames, model numbers, and chain IDs of the complexes
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(format: <PDB_FILE>_<MODEL_NUM1>_<CHAIN_ID1>_<PDB_FILE>_<MODEL_NUM2>_<CHAIN_ID2>)
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['types'] (dict) Type of each entry.
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['file_path'] (str) Path to the LMDB.
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## Additional Information
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Each entry in the dataset contains the following keys:
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- ['input_ids'] The set of atomic numbers for both the proteins in the complex concatenated together.
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- ['coords'] The 3D coordinates for both the proteins in the complex concatenated together.
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- ['label'] 1 for interacting, 0 for not interacting.
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- ['token_type_ids'] A mask that corresponds to which inputs_ids/coords belong to the two individual proteins involved in the complex (0 for protein 1 , 1 for protein 2)
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## Additional Information
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