From 56a00d72c62ccf498d905cc1eb159c21915025d6 Mon Sep 17 00:00:00 2001 From: NDoering99 Date: Wed, 2 Oct 2024 11:26:12 +0200 Subject: [PATCH] fix error in GMM --- mdpath/src/mutual_information.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/mdpath/src/mutual_information.py b/mdpath/src/mutual_information.py index 0b0fd42..0e174ee 100644 --- a/mdpath/src/mutual_information.py +++ b/mdpath/src/mutual_information.py @@ -15,11 +15,12 @@ import numpy as np from tqdm import tqdm from sklearn.metrics import mutual_info_score +from sklearn.mixture import GaussianMixture from scipy.stats import entropy class NMICalculator: - def __init__(self, df_all_residues: pd.DataFrame, num_bins: int = 35) -> None: + def __init__(self, df_all_residues: pd.DataFrame, num_bins: int = 35, GMM = None) -> None: self.df_all_residues = df_all_residues self.num_bins = num_bins self.GMM = GMM