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Update DB5 README
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project/datasets/DB5/README

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Cleaned up version of Docking Benchmark 5 (https://zlab.umassmed.edu/benchmark/).
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Released with "End-to-End Learning on 3D Protein Structure for Interface Prediction."
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Originally released with "End-to-End Learning on 3D Protein Structure for Interface Prediction."
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by Raphael J.L. Townshend, Rishi Bedi, Patricia Suriana, Ron O. Dror
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https://arxiv.org/abs/1807.01297
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Specifically, bound chains and residue indexes were aligned across unbound and bound complexes.
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A total of 230 binary protein complexes are included.
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Processing code to regenerate and use the provided tfrecords is located at
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Processing code to regenerate and use the original provided tfrecords is located at
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https://github.com/drorlab/DIPS
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MANIFEST
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raw/ - All pre-aligned and cleaned DB5 structures, organized into directories
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with individual files for ligand-unbound, ligand-bound, receptor-unbound,
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receptor-bound.
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final/
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raw/ - List of all postprocessed (i.e. feature-enriched) pairs.
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interim/
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parsed/ - All DB5 structures processed to pickled dataframes.
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complexes/ - List of all possible pairs in parsed.
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pairs/ - Dill files of individual pairs listed in complexes.
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processed/
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tfrecords/ - pairs converted to tfrecords.
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complexes/ - List of all possible pairs in parsed.
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external_feats/ - List of all residue-level features generated using external software packages.
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pairs/ - Dill files of individual pairs listed in complexes.
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parsed/ - All DB5 structures processed to pickled dataframes.
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raw/ - All pre-aligned and cleaned DB5 structures, organized into directories
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with individual files for ligand-unbound, ligand-bound, receptor-unbound,
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receptor-bound.

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