Add probabilistic profile prediction

app.py

@@ -92,12 +92,48 @@ def Predict_profile(sequence, header = header,rem=rem,Hash1 = Hash1):
         pred_Profile=np.delete(pred_Profile,rem,1)
     return(pred_Profile)
 
+def Predict_profile1(sequence, header = header,rem=rem,Hash1 = Hash1):
+    f=list()
+    f.append("PDBNO"+"\t")
+    for i in range(3,23):
+        f.append(header[i]+"\t")
+    f.append("X\n")    
+   
+    a = (len(Hash1),len(sequence))
+    pred_Profile=np.zeros(a)
+    for i  in range(len(sequence)):  
+        if i not in rem:
+            T=np.copy(list(sequence))
+            T=" ".join(T)
+            T=T.split(" ")
+            T[i]='[MASK]'
+            T=" ".join(T)
+            l=fill_mask(T)
+            number=len(l)
+            for k in range(number):
+                token=l[k]['token_str']
+                token=token.replace("▁","")
+                score=l[k]['score']
+                if token not in Hash1:
+                  pred_Profile['X'][i]=pred_Profile['X'][i]+score
+                
+                else:   
+                  pred_Profile[Hash1[token]][i]=score
+            f.append(str(i+1))
+            for k in range(len(Hash1)):  #without X
+                f.append("\t"+str(pred_Profile[k][i]))
+            f.append("\n")
+            print(i)
+    if len(rem)!=0:
+        pred_Profile=np.delete(pred_Profile,rem,1)
+    return(pred_Profile)
+
 
 title="Protein sequence profile prediction using ProtAlbert transformer"
 
 
 
-iface = gr.Interface(fn=Predict_profile,
+iface = gr.Interface(fn=Predict_profile1,
                      inputs=["text"], 
                      outputs="text",
                      description="Please enter the sequence",