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from tdc.multi_pred import DTI
import pandas as pd
import numpy as np
if __name__ == '__main__':
bindingDB_data = DTI(name = 'BindingDB_Kd')
davis_data = DTI(name = 'DAVIS')
bindingDB_data.harmonize_affinities(mode = 'max_affinity')
bindingDB_data.convert_to_log(form = 'binding')
davis_data.convert_to_log(form = 'binding')
split_bindingDB = bindingDB_data.get_split()
split_davis = davis_data.get_split()
dataset_list = ["train", "valid", "test"]
for dataset_type in dataset_list:
df_bindingDB = pd.DataFrame(split_bindingDB[dataset_type])
df_davis = pd.DataFrame(split_davis[dataset_type])
df_bindingDB.to_csv(f"../dataset_kd/bindingDB_{dataset_type}.csv", index=False)
df_davis.to_csv(f"../dataset_kd/davis_{dataset_type}.csv", index=False)
Y_bindingDB = np.array(df_bindingDB.Y)
Y_davis = np.array(df_davis.Y)
Y_davis_log = [np.log10(Y_davis)]
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