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

"""
In this notebook I will see what I can do - EDA-wise without the additional data.
I do that because it is not available for us in the test,
might be we an regenaerate them - but for now, the basic data is what I want to focus on.
"""
test = pd.read_csv('../input/test.csv')
train = pd.read_csv('../input/train.csv')
structures = pd.read_csv('../input/structures.csv')

train.columns

print(train['id'].nunique())
print(train['molecule_name'].nunique())
print(train['id'].nunique() - train.shape[0])