sadgaj commited on
Commit
1249729
·
1 Parent(s): 4d9c269

Update app.py

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Files changed (1) hide show
  1. app.py +3 -15
app.py CHANGED
@@ -79,21 +79,9 @@ def greet(name):
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  )
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  sf_output = [tokenizer.decode(g, skip_special_tokens=True, clean_up_tokenization_spaces=True).replace(" ","") for g in molecules]
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  sf_output = list(set(sf_output))
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- input_sm = sf_decode(input)
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- sm_output = [sf_decode(sf) for sf in sf_output]
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-
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-
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-
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- input_plogp = plogp(input_sm)
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- plogp_improve = [plogp(i)-input_plogp for i in sm_output]
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-
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-
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- sim = [sim(i,input_sm) for i in sm_output]
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-
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- candidate_selfies = {"candidates": sf_output, "improvement": plogp_improve, "sim": sim}
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- data = pd.DataFrame(candidate_selfies)
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-
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- return data
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  )
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  sf_output = [tokenizer.decode(g, skip_special_tokens=True, clean_up_tokenization_spaces=True).replace(" ","") for g in molecules]
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  sf_output = list(set(sf_output))
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+
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+ return sf_output
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+
 
 
 
 
 
 
 
 
 
 
 
 
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