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Published 20 hours ago • verified publisher icon wengong-jin

python environment and package dependencies

Open pramodkp opened this issue 3 years ago • 1 comments

Great work,

Trying to run this so please can you put a requirement file with versions of python ,torch, sklearn etc.
How to run this for the different target inhibitors.

pramodkp avatar Oct 05 '21 11:10 pramodkp

Hello, not the author, but I managed to load the sklearn models with scikit-learn==0.21.3, scipy==1.5.4, numpy==1.17.0. To run this in a newer environment I used skl2onnx==1.11.0 to export the models to onnx.

bengioe avatar Jun 21 '22 21:06 bengioe