From 0f60274ea2749fe2778ab1fdb806792f7697af35 Mon Sep 17 00:00:00 2001 From: Matt Johnson Date: Wed, 8 Jan 2025 21:56:16 -0800 Subject: [PATCH] properly construct regressor during calculations selection --- pynta/tasks.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pynta/tasks.py b/pynta/tasks.py index 2f7458ca..da2f2d6d 100644 --- a/pynta/tasks.py +++ b/pynta/tasks.py @@ -1226,7 +1226,7 @@ def run_task(self, fw_spec): #load tree nodes = read_nodes(os.path.join(path,"Iterations",str(iter),"regressor.json")) - tree = MultiEvalSubgraphIsomorphicDecisionTreeRegressor([adsorbate_interaction_decomposition,adsorbate_triad_interaction_decomposition], + tree = MultiEvalSubgraphIsomorphicDecisionTreeRegressor([adsorbate_interaction_decomposition], nodes=nodes) #load computed configs