From 777fb8f96dd522d7ddbc8cccc2deea82bc7b8053 Mon Sep 17 00:00:00 2001 From: Dominique Sydow Date: Wed, 22 Dec 2021 13:23:49 +0100 Subject: [PATCH] Pin rdkit --- devtools/test_env.yaml | 1 + 1 file changed, 1 insertion(+) diff --git a/devtools/test_env.yaml b/devtools/test_env.yaml index 20559c6..f0e5637 100644 --- a/devtools/test_env.yaml +++ b/devtools/test_env.yaml @@ -9,6 +9,7 @@ dependencies: - openpyxl - tabulate - scikit-learn + - rdkit<=2021.09.2 - kissim # Testing # Workaround for https://github.com/computationalmodelling/nbval/issues/153