image_output_2.png image_output_1.png
import pandas as pd

import os
import numpy as np
import pandas as pd
import seaborn as sns
import matplotlib.pyplot as plt
train = pd.read_csv('../input/train.csv')
test = pd.read_csv('../input/train.csv')

def read_xyz(path, filename):
    return pd.read_csv(path + filename, skiprows=2, header=None, sep=' ', usecols=[0, 1, 2, 3], names=['atom', 'x', 'y', 'z'])
path = '../input/structures/'
filename = 'dsgdb9nsd_000001.xyz'
read_xyz(path, filename)