From 9d9a3bdda19d073c483cea78b1dc5725efbd240c Mon Sep 17 00:00:00 2001
From: hyunp2 <42776897+hyunp2@users.noreply.github.com>
Date: Tue, 26 Sep 2023 18:03:41 -0500
Subject: [PATCH] Update 2_generate_frag_sdf.py

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

diff --git a/2_generate_frag_sdf.py b/2_generate_frag_sdf.py
index 9192467a..d33a5ee9 100644
--- a/2_generate_frag_sdf.py
+++ b/2_generate_frag_sdf.py
@@ -19,7 +19,7 @@
     print(f'Now on node {node}')
     TARGET_DIR = f'data/sdf/{node}/'
     INPUT_SMILES=f'data/fragments_smi/frag_{node}.txt'
-    OUTPUT_TEMPLATE=f'hMOF'
+    OUTPUT_TEMPLATE=f'data/fragments_all/{node}/hMOF_frag'
     OUT_DIR=f'data/fragments_all/{node}/'
     CORES='0'