diff --git a/common_dataset.py b/common_dataset.py index 42c4c191ae891b3217c7dd009025aa6aa5b9ab74..dbed634aaaeed2d4aab3ac259ca286e7cd66c32e 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 -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') -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 +# 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') +# 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 diff --git a/data/intensity/intensity_train.npy b/data/intensity/intensity_train.npy index c4da2bf768efb229b1c2d4016063b90c2e387c49..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 100644 Binary files a/data/intensity/intensity_train.npy and b/data/intensity/intensity_train.npy differ diff --git a/dataloader.py b/dataloader.py index 89a0083eac601fcf0608b37c632400af6a064b73..743676ecb9535962056cc4dc5b216b6a18aa0928 100644 --- a/dataloader.py +++ b/dataloader.py @@ -195,9 +195,9 @@ class Intentsity_Dataset(Dataset): return torch.tensor(self.seq[idx]), torch.tensor([self.energy[idx]]).float(), torch.tensor( self.precursor_charge[idx]), torch.tensor(self.intensity[idx]).float() -storage = H5ToStorage('database/traintest_hcd.hdf5') -storage.make_npy_file('data/intensity/method_train.npy','method') -storage.make_npy_file('data/intensity/sequence_train.npy','sequence_integer') -storage.make_npy_file('data/intensity/intensity_train.npy', 'intensities_raw') -storage.make_npy_file('data/intensity/collision_energy_train.npy', 'collision_energy_aligned_normed') -storage.make_npy_file('data/intensity/precursor_charge_train.npy', 'precursor_charge_onehot') +# storage = H5ToStorage('database/traintest_hcd.hdf5') +# storage.make_npy_file('data/intensity/method_train.npy','method') +# storage.make_npy_file('data/intensity/sequence_train.npy','sequence_integer') +# storage.make_npy_file('data/intensity/intensity_train.npy', 'intensities_raw') +# storage.make_npy_file('data/intensity/collision_energy_train.npy', 'collision_energy_aligned_normed') +# storage.make_npy_file('data/intensity/precursor_charge_train.npy', 'precursor_charge_onehot')