image_output_1.png
import pandas as pd # data       , CSV file I/O (e.g. pd.read_csv)

df_train = pd.read_csv('../input/train.csv')

structures = pd.read_csv('../input/structures.csv')

molecule = 'dsgdb9nsd_000001'

a = df_train.loc[df_train['molecule_name'] == f'{molecule}']
b = structures[structures.molecule_name == f'{molecule}']

list(df_train['type'].unique())