Update 2_generate_frag_sdf.py

globus-labs · Sep 26, 2023 · 9d9a3bd · 9d9a3bd
1 parent 27ce627
commit 9d9a3bd
Showing 1 changed file with 1 addition and 1 deletion.
diff --git 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'