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Update utils.py

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ZiChong Wang
2025-02-20 21:11:40 +08:00
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parent 2f30cbe41d
commit 9c3eef907f
1 changed files with 0 additions and 3 deletions
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experiments/utils.py
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@@ -368,9 +368,6 @@ def save_traj(
noise_path = os.path.join(output_dir, 'noise.pdb') noise_path = os.path.join(output_dir, 'noise.pdb')
x0_traj_path = os.path.join(output_dir, 'x0_traj.pdb') x0_traj_path = os.path.join(output_dir, 'x0_traj.pdb')
np.save(os.path.join(output_dir, 'sample.npy'), sample)
np.save(os.path.join(output_dir, 'noise.npy'), noise)
# Use b-factors to specify which residues are diffused. # Use b-factors to specify which residues are diffused.
b_factors = np.tile((diffuse_mask * 100)[:, None], (1, 37)) b_factors = np.tile((diffuse_mask * 100)[:, None], (1, 37))