Commit
·
be507b5
1
Parent(s):
eba44c7
chore: join the input filenames
Browse files- inference_app.py +3 -5
inference_app.py
CHANGED
@@ -38,8 +38,8 @@ def predict(
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# Random translations sampled along 0-50 angstroms per axis
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translation_magnitudes = np.linspace(
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0,
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num=
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endpoint=False
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)
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# generate one pose at a time
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@@ -67,9 +67,7 @@ def predict(
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output_dir = Path(receptor_pdb).parent
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# System ID
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pdb_name = "--".
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Path(receptor_pdb).stem.rstrip("-R"), Path(ligand_pdb).stem.rstrip("-L")
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]) + ".pdb"
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output_pdb = output_dir / pdb_name
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write_pdb(best_pose, output_pdb)
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end_time = time.time()
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# Random translations sampled along 0-50 angstroms per axis
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translation_magnitudes = np.linspace(
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0, 26,
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num=26,
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endpoint=False
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)
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# generate one pose at a time
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output_dir = Path(receptor_pdb).parent
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# System ID
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+
pdb_name = Path(receptor_pdb).stem + "--" + Path(ligand_pdb).name
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output_pdb = output_dir / pdb_name
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write_pdb(best_pose, output_pdb)
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end_time = time.time()
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