diff --git a/main_custom.py b/main_custom.py index fec2d98427eae0a414849090dc94a461eb614c6b..a0f6489bd8271c46cd7d44e0243f71c181c9ade4 100644 --- a/main_custom.py +++ b/main_custom.py @@ -200,8 +200,8 @@ def run(epochs, eval_inter, save_inter, model, data_train, data_val, data_test, else : for e in range(1, epochs + 1): - # train(model, data_train, e, optimizer, criterion_rt, criterion_intensity, metric_rt, metric_intensity, forward, - # wandb=wandb) + train(model, data_train, e, optimizer, criterion_rt, criterion_intensity, metric_rt, metric_intensity, forward, + wandb=wandb) if e % eval_inter == 0: eval(model, data_val, e, criterion_rt, criterion_intensity, metric_rt, metric_intensity, forward, wandb=wandb) diff --git a/prosit_data_merge.py b/prosit_data_merge.py index 444200cb5ee06ac4bbbd467ddcbe14788b3e1fcc..1211691f84bfc89365ff2e314231465457e65752 100644 --- a/prosit_data_merge.py +++ b/prosit_data_merge.py @@ -148,7 +148,11 @@ def alphabetical_to_numerical(seq): df = pd.read_pickle('database/data_prosit_merged_holdout.pkl') -df = df.head(100) +print(len(df)) +print(df.head()) +df = df[df['Retention time']!=[0,0,0,0,0,0]] +print(len(df)) +print(df.head()) -df.to_csv('database/data_head.csv') +df.to_pickle('database/data_prosit_merged_holdout_2.pkl')