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lines changed Original file line number Diff line number Diff line change @@ -5,7 +5,7 @@ chemlog_peptides:
55my_resgated :
66 type : resgated
77 ckpt_path : my_resgated.ckpt # checkpoint trained with chebai
8- target_labels_path : ../python-chebai/data/chebi_v241 /ChEBI50/processed/classes.txt # from the chebai dataset
8+ target_labels_path : ../python-chebai/data/chebi_v244 /ChEBI50/processed/classes.txt # from the chebai dataset
99 molecular_properties : # list of properties used during training
1010 - chebai_graph.preprocessing.properties.AtomType
1111 - chebai_graph.preprocessing.properties.NumAtomBonds
@@ -22,5 +22,5 @@ my_resgated:
2222my_electra :
2323 type : electra
2424 ckpt_path : my_electra.ckpt
25- target_labels_path : ../python-chebai/data/chebi_v241 /ChEBI50/processed/classes.txt
25+ target_labels_path : ../python-chebai/data/chebi_v244 /ChEBI50/processed/classes.txt
2626 # classwise_weights_path: my_electra_metrics.json # can be calculated with chebai.results.generate_class_properties
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