simonduerr commited on
Commit
81fdd12
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verified ·
1 Parent(s): 24cc9e3

Update app.py

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Files changed (1) hide show
  1. app.py +3 -1
app.py CHANGED
@@ -79,7 +79,9 @@ def predict(jobname, inputs, recycling_steps, sampling_steps, diffusion_samples)
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  if chain["sdf"]!="" and chain["name"]=="":
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  raise gr.Error("Sorry, no SDF support yet.")
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  if "name" in chain.keys() and len(chain["name"])==3:
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- sequence_data[entity_type]["ccd"] = chain["name"].upper()
 
 
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  elif "smiles" in chain.keys():
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  sequence_data[entity_type]["smiles"] = chain["smiles"]
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  else:
 
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  if chain["sdf"]!="" and chain["name"]=="":
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  raise gr.Error("Sorry, no SDF support yet.")
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  if "name" in chain.keys() and len(chain["name"])==3:
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+ ccd = chain["name"].upper()
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+ print("CCD Code", ccd)
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+ sequence_data[entity_type]["ccd"] = ccd
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  elif "smiles" in chain.keys():
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  sequence_data[entity_type]["smiles"] = chain["smiles"]
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  else: