From f73d202eb477fad55a6a450a40dde004ea83c3a6 Mon Sep 17 00:00:00 2001
From: hyunp2 <42776897+hyunp2@users.noreply.github.com>
Date: Tue, 26 Sep 2023 21:11:00 -0500
Subject: [PATCH] Update 3_difflinker_sample.py

---
 3_difflinker_sample.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/3_difflinker_sample.py b/3_difflinker_sample.py
index 3d979659..71d7a9c4 100644
--- a/3_difflinker_sample.py
+++ b/3_difflinker_sample.py
@@ -7,7 +7,7 @@
 # change to the line below to reproduce paper result
 # nodes = [i.split('_')[1].split('.sdf')[0] for i in os.listdir('data/conformers') if 'conformers' in i]
 
-for n_atoms in [5]:
+for n_atoms in [8]:
 # change to the line below to reproduce paper result
 # for n_atoms in range(5,11):
     print(f'Sampling {n_atoms} atoms...')