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README.md
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## ⚠️ Important Data Access Notice
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> The repository statistics incorrectly show ~3.15 million entries due to a platform counting error. HuggingFace sums across our five train-test splits (610,117 × 5 ≈ 3.15M) instead of recognizing these as the same unique precursors distributed into separate folds.
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**Recommended Data Access Methods**:
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- **`pep2prob_dataset.csv`**: Main dataset containing fragment ion probability statistics for 610,117 unique peptide precursors, derived from over 183 million high-resolution HCD MS/MS spectra
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- **`X_columns.csv`**: Metadata describing input features (peptide sequence information, amino acid properties, fragment ion types, physicochemical features)
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- **`Y_columns.csv`**: Metadata describing target variables (probability values for different fragment ion types)
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- **`train_test_split_set_X/`**: Five pre-defined
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## 🎯 Train-test split Methodology
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## ⚠️ Important Data Access Notice
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**HuggingFace Statistics Issue**: The repository statistics incorrectly show ~3.15 million entries due to a platform counting error. HuggingFace sums across our five train-test splits (610,117 × 5 ≈ 3.15M) instead of recognizing these as the same unique precursors distributed into separate folds.
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**Recommended Data Access Methods**:
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- **`pep2prob_dataset.csv`**: Main dataset containing fragment ion probability statistics for 610,117 unique peptide precursors, derived from over 183 million high-resolution HCD MS/MS spectra
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- **`X_columns.csv`**: Metadata describing input features (peptide sequence information, amino acid properties, fragment ion types, physicochemical features)
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- **`Y_columns.csv`**: Metadata describing target variables (probability values for different fragment ion types)
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- **`train_test_split_set_X/`**: Five pre-defined train-test splits ensuring no sequence similarity between training and testing sets, preventing data leakage
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## 🎯 Train-test split Methodology
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