From 98b55f963159da99a7f20de4fb1a19f7a18dc812 Mon Sep 17 00:00:00 2001 From: Lin WANG <58931275+Wang-Lin-boop@users.noreply.github.com> Date: Thu, 31 Oct 2024 15:50:51 +0800 Subject: [PATCH] Update PharmProfiler.py --- geminimol/PharmProfiler.py | 1 + 1 file changed, 1 insertion(+) diff --git a/geminimol/PharmProfiler.py b/geminimol/PharmProfiler.py index 168b3fe..4dd8277 100644 --- a/geminimol/PharmProfiler.py +++ b/geminimol/PharmProfiler.py @@ -146,6 +146,7 @@ def __call__( model_name = sys.argv[1] encoder = GeminiMol( model_name, + batch_size = 512, internal_label_list = [], extrnal_label_list = ['Pearson'], )