Update 3_difflinker_sample.py

globus-labs · Sep 27, 2023 · f73d202 · f73d202
1 parent b8bca0e
commit f73d202
Showing 1 changed file with 1 addition and 1 deletion.
diff --git 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...')