Spaces:
Running
on
L4
Running
on
L4
Update app.py
Browse files
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
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raise gr.Error("Sorry no SDF support yet")
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-
if "name" in
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sequence_data[entity_type]["ccd"] =
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-
if "smiles" in
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-
sequence_data[entity_type]["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. ")
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