diff --git a/setup.py b/setup.py index 0aec0c1..af7a4dc 100644 --- a/setup.py +++ b/setup.py @@ -16,7 +16,7 @@ 'pandas>=2.0', 'hyperopt>=0.1.1', 'cclib>=1.6', - 'torch==2.1.2', + 'torch==2.7.1', 'joblib>=1.3.0', 'qcelemental>=0.27.1', 'qcengine>=0.26.0'