Merge pull request #1105 from ueser/patch-1

import random

import numpy as np

from sklearn.metrics import roc_auc_score

import scipy

def symmetric_normalize_adj(adj):

    adj = adj[:n_atoms, :n_atoms]

    degree = np.sum(adj, axis=1)

    D = np.diag(degree)

    D_sqrt = scipy.linalg.sqrtm(D)

    D_sqrt_inv = scipy.linalg.inv(D_sqrt)

    D_sqrt = np.sqrt(D)

    D_sqrt_inv = np.linalg.inv(D_sqrt)

    sym_norm = D_sqrt_inv.dot(adj)

    sym_norm = sym_norm.dot(D_sqrt_inv)

    new_adj = np.zeros(orig_shape)