From e609746ca8e939ba20b78bb82dd5a310ec52567e Mon Sep 17 00:00:00 2001 From: Valerij Talagayev <82884038+talagayev@users.noreply.github.com> Date: Sun, 18 Aug 2024 20:03:49 +0200 Subject: [PATCH] Update requirements.txt adjusted openff-toolkit version --- requirements.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/requirements.txt b/requirements.txt index 70c5abb6..f1aa420e 100644 --- a/requirements.txt +++ b/requirements.txt @@ -4,7 +4,7 @@ requests>=2.28.1 rdkit>=2022.03.5 mdtraj=1.9.7 pdbfixer=1.8.1 -openff-toolkit=0.11.1 +openff-toolkit=0.16.0 openmmforcefields=0.11.2 cudatoolkit>=11.7.0 cuda-python>=11.7.1