Update app.py

app.py

@@ -79,6 +79,11 @@ def greet(name):
                     )
     sf_output = [tokenizer.decode(g, skip_special_tokens=True, clean_up_tokenization_spaces=True).replace(" ","") for g in molecules]
     sf_output = list(set(sf_output))
+    input_sm = sf_decode(input)
+    sm_output = [sf_decode(sf) for sf in sf_output]
+    
+    
+    
     input_plogp = plogp(input_sm)
     plogp_improve = [plogp(i)-input_plogp for i in sm_output]
     
@@ -88,7 +93,8 @@ def greet(name):
     candidate_selfies = {"candidates": sf_output, "improvement": plogp_improve, "sim": sim}
     data = pd.DataFrame(candidate_selfies)
     
-    return data
+    return data[(data['improvement']> 0) & (data['sim']>0.4)]
+