image_output_1.png
import matplotlib.pyplot as plt

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

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

M = 8000
fig, ax = plt.subplots(1,3,figsize=(20,5))

colors = ["darkred", "dodgerblue", "mediumseagreen", "gold", "purple"]
atoms = structures.atom.unique()

for n in range(len(atoms)):

    ax[0].scatter(structures.loc[structures.atom==atoms[n]].x.values[0:M],
                  structures.loc[structures.atom==atoms[n]].y.values[0:M],
                  color=colors[n], s=2, alpha=0.5, label=atoms[n])
    ax[0].legend()
    ax[0].set_xlabel("x")
    ax[0].set_xlabel("y")
    
    ax[1].scatter(structures.loc[structures.atom==atoms[n]].x.values[0:M],
                  structures.loc[structures.atom==atoms[n]].z.values[0:M],
                  color=colors[n], s=2, alpha=0.5, label=atoms[n])
    ax[1].legend()
    ax[1].set_xlabel("x")
    ax[1].set_xlabel("z")
    
    ax[2].scatter(structures.loc[structures.atom==atoms[n]].y.values[0:M],
                  structures.loc[structures.atom==atoms[n]].z.values[0:M],
                  color=colors[n], s=2, alpha=0.5, label=atoms[n])
    ax[2].legend()
    ax[2].set_xlabel("y")
    ax[2].set_xlabel("z")

M = 200000
fig, ax = plt.subplots(1, 3, figsize=(20, 5))
ax[0].scatter(structures.x.values[0:M], structures.y.values[0:M], c=structures.index.values[0:M], s=2, alpha=0.5, cmap='magma')
ax[0].set_xlabel('x')
ax[0].set_xlabel('y')
ax[1].scatter(structures.x.values[0:M], structures.z.values[0:M], c=structures.index.values[0:M], s=2, alpha=0.5, cmap='magma')
ax[1].set_xlabel('x')
ax[1].set_xlabel('z')
ax[2].scatter(structures.y.values[0:M], structures.z.values[0:M], c=structures.index.values[0:M], s=2, alpha=0.5, cmap='magma')
ax[2].set_xlabel('y')
ax[2].set_xlabel('z')