Update app.py

app.py

@@ -96,15 +96,28 @@ def prediction(prompt, temperature, do_structure, enable_roundtrip):
             f = open("./round_tripped.pdb", "w")
             f.write("\n")
             f.close()
-            return protein.sequence, "Inverse folding and re-generation not enabled", html, html1, "./generation.pdb", "./round_tripped.pdb"
+            return protein.sequence, "Inverse folding and re-generation not enabled", html, html1, "generation.pdb", "round_tripped.pdb"
     else:
         f = open("./empty.pdb", "w")
         f.write("\n")
         f.close()
         return protein.sequence, "Inverse folding and re-generation not enabled", "<h3>Structure reconstruction not enabled</h3>", "<h3>Inverse folding and re-generation not enabled</h3>", "./empty.pdb", "./empty.pdb"
-    
 
-demo = gr.Interface(fn = prediction, inputs = [gr.Textbox(label="Masked protein sequence", info="Use '_' as masking character", value="___________________________________________________DQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPP___________________________________________________________"), gr.Slider(0,1,label="Temperature"), gr.Radio(["Yes", "No"], label="Reconstruct structure", info="Choose wheter to reconstruct structure or not"), gr.Radio(["Yes", "No"], label="Allow inverse-folding", info="Choose wether to allow double check of prediction with inverse folding (ONLY when 'Reconstruct structure' is set to 'Yes')")], outputs = [gr.Textbox(label="Originally predicted sequence"),gr.Textbox(label="Inverse folding predicted sequence"),gr.HTML(label="Predicted 3D structure"),gr.HTML(label="Inverse-folding predicted 3D structure"), Molecule3D(label="Predicted molecular structure"), Molecule3D(label="Inverse-folding predicted molecular structure")], title="""<h1 align='center'>Proteins with ESM</h1>
+reps =    [
+    {
+      "model": 0,
+      "chain": "",
+      "resname": "",
+      "style": "stick",
+      "color": "whiteCarbon",
+      "residue_range": "",
+      "around": 0,
+      "byres": False,
+      "visible": False
+    }
+]
+
+demo = gr.Interface(fn = prediction, inputs = [gr.Textbox(label="Masked protein sequence", info="Use '_' as masking character", value="___________________________________________________DQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPP___________________________________________________________"), gr.Slider(0,1,label="Temperature"), gr.Radio(["Yes", "No"], label="Reconstruct structure", info="Choose wheter to reconstruct structure or not"), gr.Radio(["Yes", "No"], label="Allow inverse-folding", info="Choose wether to allow double check of prediction with inverse folding (ONLY when 'Reconstruct structure' is set to 'Yes')")], outputs = [gr.Textbox(label="Originally predicted sequence", show_copy_button=True),gr.Textbox(label="Inverse folding predicted sequence", show_copy_button=True),gr.HTML(label="Predicted 3D structure"),gr.HTML(label="Inverse-folding predicted 3D structure"), Molecule3D(label="Predicted molecular structure", reps=reps), Molecule3D(label="Inverse-folding predicted molecular structure", reps=reps)], title="""<h1 align='center'>Proteins with ESM</h1>
     <h2 align='center'>Predict the whole sequence and 3D structure of masked protein sequences!</h2>
     <h3 align='center'>Support this space with a ⭐ on <a href='https://github.com/AstraBert/proteins-w-esm'>GitHub</a></h3>
     <h3 align='center'>Support Evolutionary Scale's ESM with a ⭐ on <a href='https://github.com/evolutionaryscale/esm'>GitHub</a></h3>""", examples = [["___________________________________________________DQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPP___________________________________________________________", 0.7, "No", "No"], ["__________________________________________________________AGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKDSDDVPMVLVGNKCDLAARTVESRQAQDLARSYGIPYIETSAKTRQGVEDAFYTLVRE___________________________", 0.2, "Yes", "No"], ["__________KTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLH________", 0.5, "Yes", "Yes"]], cache_examples=False)