DeepPurpose.oneliner.virtual_screeningΒΆ
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):