Datasets:
Update README.md
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README.md
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## Description of dataset files
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|-- **full**
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This is the full feature matrix that contains all 26 million proteins pairs that DirectContacts2 makes
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predictions on and the 324 features from >25,000 proteomic mass spectrometry experiments. The feature
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matrix was originally developed in hu.MAP3.0.
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|-- **reference_interactions**
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These are the test set negatives that contains both intra- and inter-complex negative pairs. The file
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contains a pair of proteins (defined by UniProt acession) per line. The set of structures (PDBs) these
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interactions come from all have at least 5 subunits.
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These are the test set negatives that contain only intra-complex negative pairs and are the negatives used
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in the test feature matrix provided when reading in the test feature matrix using the *datasets* package.
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The other feature matrix is provided under this same directory (*reference_interactions). All PDBs that
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these interactions come from have at least 5 protein subunits. The file is structured with one pair of
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proteins (defined by UniProt acession) per line.
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These are the test set positives, which are only intra-complex pairs. The PDB structures from which the
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interactions are derived all have at least 5 subunits. The file is structured with one pair of
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proteins (defined by UniProt acession) per line.
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These are the training set negatives, which contain both inter- and intra-complex pairs. The set of
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structures (PDBs) these interactions come from all have at least 3 subunits. The file is structured with
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one pair of proteins (defined by UniProt acession) per line.
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These are the test set positives, which are only intra-complex pairs. The PDB structures from which the
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interactions are derived all have at least 3 subunits. The file is structured with one pair of
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proteins (defined by UniProt acession) per line.
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|-- **test**
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|-- **test_FeatureMatrix_pdbsize5_only_INTRA_complex_NegativePairs_20240326.csv.gz**
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This is the feature matrix for the test set of interactions.
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## Description of dataset files
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|-- **full**
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|-- humap3_full_feature_matrix_20220625.csv.gz
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This is the full feature matrix that contains all 26 million proteins pairs that DirectContacts2 makes
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predictions on and the 324 features from >25,000 proteomic mass spectrometry experiments. The feature
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matrix was originally developed in hu.MAP3.0.
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|-- **reference_interactions**
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|-- benchmark_test_INTRAandINTER_complex_NegativePairs_20250619.csv
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These are the test set negatives that contains both intra- and inter-complex negative pairs. The file
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contains a pair of proteins (defined by UniProt acession) per line. The set of structures (PDBs) these
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interactions come from all have at least 5 subunits.
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|-- benchmark_test_IntraComplex_NegativePairs_pdbsize5_20240326.txt
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These are the test set negatives that contain only intra-complex negative pairs and are the negatives used
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in the test feature matrix provided when reading in the test feature matrix using the *datasets* package.
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The other feature matrix is provided under this same directory (*reference_interactions). All PDBs that
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these interactions come from have at least 5 protein subunits. The file is structured with one pair of
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proteins (defined by UniProt acession) per line.
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+
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|-- benchmark_test_IntraComplex_PositivePairs_pdbsize5_20240326.txt
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These are the test set positives, which are only intra-complex pairs. The PDB structures from which the
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interactions are derived all have at least 5 subunits. The file is structured with one pair of
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proteins (defined by UniProt acession) per line.
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|-- benchmark_train_INTERandINTRA_complex_NegativePairs_pdbsize3_20240326.txt
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These are the training set negatives, which contain both inter- and intra-complex pairs. The set of
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structures (PDBs) these interactions come from all have at least 3 subunits. The file is structured with
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one pair of proteins (defined by UniProt acession) per line.
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|-- benchmark_train_IntraComplex_PositivePairs_pdbsize3_20240326.txt
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These are the test set positives, which are only intra-complex pairs. The PDB structures from which the
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interactions are derived all have at least 3 subunits. The file is structured with one pair of
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proteins (defined by UniProt acession) per line.
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|-- **test**
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|-- **test_FeatureMatrix_pdbsize5_only_INTRA_complex_NegativePairs_20240326.csv.gz**
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This is the feature matrix for the test set of interactions.
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