binding_affinity / dcoid_combine.py
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add D-COID data set
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import pandas as pd
if __name__ == '__main__':
import glob
df_actives = pd.read_parquet('data/dcoid_actives.parquet')
df_decoys = pd.read_parquet('data/dcoid_decoys.parquet')
df_actives['active'] = pd.Series([True]*len(df_actives))
df_decoys['active'] = pd.Series([False]*len(df_decoys))
pd.concat([df_actives,df_decoys]).to_parquet('data/dcoid.parquet')