simonduerr commited on
Commit
9d9ebf3
·
verified ·
1 Parent(s): ee6ade6

Update inference_app.py

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  1. inference_app.py +0 -11
inference_app.py CHANGED
@@ -125,7 +125,6 @@ def run_docking(protein, ligand):
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  def predict (input_sequence, input_ligand,input_msa, input_protein):
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  start_time = time.time()
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-
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  protonate_receptor_and_ligand(input_protein, input_ligand)
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  generate_conformers(input_protein, input_ligand)
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  cnn_score = run_docking(input_protein, input_ligand)
@@ -156,16 +155,6 @@ with gr.Blocks() as app:
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  btn = gr.Button("Run Inference")
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- gr.Examples(
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- [
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- [
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- "SVKSEYAEAAAVGQEAVAVFNTMKAAFQNGDKEAVAQYLARLASLYTRHEELLNRILEKARREGNKEAVTLMNEFTATFQTGKSIFNAMVAAFKNGDDDSFESYLQALEKVTAKGETLADQIAKAL:SVKSEYAEAAAVGQEAVAVFNTMKAAFQNGDKEAVAQYLARLASLYTRHEELLNRILEKARREGNKEAVTLMNEFTATFQTGKSIFNAMVAAFKNGDDDSFESYLQALEKVTAKGETLADQIAKAL",
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- "COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O",
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- "test_out.pdb"
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- ],
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- ],
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- [input_sequence, input_ligand, input_protein],
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- )
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  reps = [
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  {
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  "model": 0,
 
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  def predict (input_sequence, input_ligand,input_msa, input_protein):
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  start_time = time.time()
 
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  protonate_receptor_and_ligand(input_protein, input_ligand)
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  generate_conformers(input_protein, input_ligand)
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  cnn_score = run_docking(input_protein, input_ligand)
 
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  btn = gr.Button("Run Inference")
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  reps = [
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  {
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  "model": 0,