simonduerr commited on
Commit
f5e0235
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verified ·
1 Parent(s): 9358437

Update app.py

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Files changed (1) hide show
  1. app.py +5 -5
app.py CHANGED
@@ -66,12 +66,12 @@ def predict(jobname, inputs, recycling_steps, sampling_steps, diffusion_samples)
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  sequences_for_msa.append(chain["sequence"])
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  sequence_data[entity_type]["msa"] = f"{jobname}/msa.a3m"
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  if entity_type == "ligand":
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- if "sdf" in chains.keys():
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  raise gr.Error("Sorry no SDF support yet")
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- if "name" in chains.keys():
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- sequence_data[entity_type]["ccd"] = chains["name"]
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- if "smiles" in chains.keys():
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- sequence_data[entity_type]["smiles"] = chains["smiles"]
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  if len(inputs["covMods"])>0:
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  raise gr.Error("Sorry, covMods not supported yet. Coming soon. ")
 
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  sequences_for_msa.append(chain["sequence"])
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  sequence_data[entity_type]["msa"] = f"{jobname}/msa.a3m"
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  if entity_type == "ligand":
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+ if "sdf" in chain.keys():
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  raise gr.Error("Sorry no SDF support yet")
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+ if "name" in chain.keys():
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+ sequence_data[entity_type]["ccd"] = chain["name"]
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+ if "smiles" in chain.keys():
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+ sequence_data[entity_type]["smiles"] = chain["smiles"]
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  if len(inputs["covMods"])>0:
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  raise gr.Error("Sorry, covMods not supported yet. Coming soon. ")