diff --git a/common_dataset.py b/common_dataset.py index 671048ef66e712f592a82327bf6ea89c0e246613..47678cf7e63ee7b4addb6088bde34a2c467fe9dd 100644 --- a/common_dataset.py +++ b/common_dataset.py @@ -165,17 +165,17 @@ def load_data(path_train, path_val, path_test, batch_size, length, pad=False, co return train_loader, val_loader, test_loader if __name__ =='__main__' : - irt_train = np.load('data/intensity/collision_irt_train.npy') - seq_train = np.load('data/intensity/sequence_train.npy') - charge_train = np.load('data/intensity/precursor_charge_train.npy') - spectra_train = np.load('data/intensity/intensity_train.npy') + # irt_train = np.load('data/intensity/collision_irt_train.npy') + # seq_train = np.load('data/intensity/sequence_train.npy') + # charge_train = np.load('data/intensity/precursor_charge_train.npy') + # spectra_train = np.load('data/intensity/intensity_train.npy') - irt_holdout = np.load('data/intensity/collision_irt_holdout.npy') + irt_holdout = np.load('data/intensity/irt_holdout.npy') seq_holdout = np.load('data/intensity/sequence_holdout.npy') charge_holdout = np.load('data/intensity/precursor_charge_holdout.npy') spectra_holdout = np.load('data/intensity/intensity_holdout.npy') # dataset_train = pd.DataFrame({'Sequence':list(seq_train), 'Retention time':list(irt_train), 'Charge':list(charge_train), 'Spectra' : list(spectra_train)},index=list(range(6787933))) # dataset_train.to_pickle('database/data_prosit_merged_train.pkl') - # dataset_test = pd.DataFrame({'Sequence':list(seq_holdout), 'Retention time':list(irt_holdout), 'Charge':list(charge_holdout), 'Spectra' : list(spectra_holdout)},index=list(range(754215))) - # dataset_train.to_pickle('database/data_prosit_merged_holdout.pkl') \ No newline at end of file + dataset_test = pd.DataFrame({'Sequence':list(seq_holdout), 'Retention time':list(irt_holdout), 'Charge':list(charge_holdout), 'Spectra' : list(spectra_holdout)},index=list(range(754215))) + dataset_test.to_pickle('database/data_prosit_merged_holdout.pkl') \ No newline at end of file diff --git a/database/data_prosit_merged_holdout.pkl b/database/data_prosit_merged_holdout.pkl index bef4c9e4c7859f52d176a6cd597d5382ccdde762..13d7f7b79d5782143028314dbd9e97fa1eb8c732 100644 Binary files a/database/data_prosit_merged_holdout.pkl and b/database/data_prosit_merged_holdout.pkl differ