mgyigit commited on
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2963ba6
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1 Parent(s): bcfd726

Update inference.py

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  1. inference.py +0 -3
inference.py CHANGED
@@ -284,10 +284,7 @@ class Inference(object):
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  "snn_chembl": [snn_chembl], "snn_drug": [snn_drug],
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  "IntDiv": [int_div], "qed": [qed], "sa": [sa]})
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  search_res = pd.concat([search_res, model_res], axis=0)
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- os.remove("experiments/inference/{}/inference_drugs.txt".format(self.submodel))
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- search_res.to_csv("experiments/inference/{}/inference_results.csv".format(self.submodel), index=False)
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  generatedsmiles = pd.DataFrame({"SMILES": gen_smi})
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- generatedsmiles.to_csv("experiments/inference/{}/inference_drugs.csv".format(self.submodel), index=False)
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  return model_res
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  "snn_chembl": [snn_chembl], "snn_drug": [snn_drug],
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  "IntDiv": [int_div], "qed": [qed], "sa": [sa]})
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  search_res = pd.concat([search_res, model_res], axis=0)
 
 
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  generatedsmiles = pd.DataFrame({"SMILES": gen_smi})
 
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  return model_res
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