From f5c0a8baf1837766e80fafee9ec3213d5361ad9b Mon Sep 17 00:00:00 2001 From: hyunp2 <42776897+hyunp2@users.noreply.github.com> Date: Tue, 3 Oct 2023 12:20:51 -0500 Subject: [PATCH] Update delinker.py --- utils/src/delinker.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/utils/src/delinker.py b/utils/src/delinker.py index 2f5b629e..6eb4703c 100644 --- a/utils/src/delinker.py +++ b/utils/src/delinker.py @@ -184,7 +184,7 @@ def calc_2d_filters(toks, pains_smarts): def calc_filters_2d_dataset(data): - with open('resources/wehi_pains.csv', 'r') as f: + with open('utils/src/delinker_utils/wehi_pains.csv', 'r') as f: pains_smarts = [Chem.MolFromSmarts(line[0], mergeHs=True) for line in csv.reader(f)] pass_all = pass_SA = pass_RA = pass_PAINS = 0