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properly construct regressor during calculations selection
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mjohnson541 committed Jan 9, 2025
1 parent ce6784d commit 0f60274
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2 changes: 1 addition & 1 deletion pynta/tasks.py
Original file line number Diff line number Diff line change
Expand Up @@ -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
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