virtual_screening.rst

DeepPurpose.oneliner.virtual_screening

text:todo

def virtual_screening(
        target, 
        X_repurpose = None,
        target_name = None, 
        drug_names = None,
        train_drug = None, 
        train_target = None, 
        train_y = None, 
        save_dir = './save_folder',               
        pretrained_dir = None,
        finetune_epochs = 10,
        finetune_LR = 0.01,
        finetune_batch_size = 32,
        convert_y = True,
        subsample_frac = 1,
        pretrained = True,
        split = 'random',
        frac = [0.7,0.1,0.2],
        agg = 'agg_mean_max',
        output_len = 30):