From fcc07db858932fa4fdd2884fd4441d9d5e91cc91 Mon Sep 17 00:00:00 2001 From: sfluegel Date: Fri, 18 Jul 2025 18:29:01 +0200 Subject: [PATCH] fix numpy conversion error --- chebai_graph/preprocessing/properties.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/chebai_graph/preprocessing/properties.py b/chebai_graph/preprocessing/properties.py index 21d8342..543a344 100644 --- a/chebai_graph/preprocessing/properties.py +++ b/chebai_graph/preprocessing/properties.py @@ -155,5 +155,5 @@ def get_property_value(self, mol: Chem.rdchem.Mol): features_normalized = generator_normalized.processMol( mol, Chem.MolToSmiles(mol) ) - np.nan_to_num(features_normalized, copy=False) + features_normalized = np.nan_to_num(features_normalized) return [features_normalized[1:]]