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smilesdrawer

Build error

simonduerr commited on Sep 14, 2022

Commit

623fc97

1 Parent(s): 454c4a6

Update app.py

Files changed (1) hide show

app.py CHANGED Viewed

@@ -12,7 +12,7 @@ def update(smiles):
         </head>
         <body>
-            <img data-smiles="OC(C(=O)O[C@H]1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C1=CC=CS1)C1=CC=CS1" />
             <script type="text/javascript" src="https://unpkg.com/smiles-drawer@2.0.1/dist/smiles-drawer.min.js"></script>
@@ -30,7 +30,8 @@ def update(smiles):
     allowpaymentrequest="" frameborder="0" srcdoc='{x}'></iframe>"""
 with gr.Blocks() as demo:
-    gr.Markdown("# Smiles viewer")
     with gr.Column():
         inp = gr.Textbox(label="SMILES string", placeholder="CCCC")
         out = gr.HTML()

         </head>
         <body>
+            <img data-smiles=""""+smiles+"""" />
             <script type="text/javascript" src="https://unpkg.com/smiles-drawer@2.0.1/dist/smiles-drawer.min.js"></script>
     allowpaymentrequest="" frameborder="0" srcdoc='{x}'></iframe>"""
 with gr.Blocks() as demo:
+    gr.Markdown("# GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles")
+    gr.Markdown(">Octavian-Eugen Ganea, Lagnajit Pattanaik, Connor W. Coley, Regina Barzilay, Klavs Jensen, William Green, Tommi S. Jaakkola 21 May 2021 (modified: 13 Jan 2022) NeurIPS 2021 Spotlight")
     with gr.Column():
         inp = gr.Textbox(label="SMILES string", placeholder="CCCC")
         out = gr.HTML()