tdc
/

BBB_Martins-Morgan

therapeutic science

drug development

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avelezarce commited on Apr 13

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2e44bb9

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@@ -48,7 +48,7 @@ Morgan chemical fingerprint with an MLP decoder. The model is tuned with 100 run
 from tdc import tdc_hf_interface
 tdc_hf = tdc_hf_interface("BBB_Martins-Morgan")
 # load deeppurpose model from this repo
-dp_model = tdc_hf_herg.load_deeppurpose('./data')
 tdc_hf.predict_deeppurpose(dp_model, ['YOUR SMILES STRING'])
 ```

 from tdc import tdc_hf_interface
 tdc_hf = tdc_hf_interface("BBB_Martins-Morgan")
 # load deeppurpose model from this repo
+dp_model = tdc_hf.load_deeppurpose('./data')
 tdc_hf.predict_deeppurpose(dp_model, ['YOUR SMILES STRING'])
 ```