Patrick Jiang comments

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                                            Patrick Jiang

FileNotFoundError: [Errno 2] No such file or directory: 'outputs/traj/test_0_pX0_traj.pdb'

Hello, I've been running into this one as well. I traced it back a bit and it seems that the error comes from the internal notebook's function defined as "run_diffusion"

FileNotFoundError: [Errno 2] No such file or directory: 'outputs/traj/test_0_pX0_traj.pdb'

From my previous comment, it seems that the eroor is this section of code: `for n in range(num_designs): pdbs = [f"outputs/traj/{path}_{n}_pX0_traj.pdb", f"outputs/traj/{path}_{n}_Xt-1_traj.pdb", f"{full_path}_{n}.pdb"] for pdb in pdbs: with open(pdb,"r") as...

FileNotFoundError: [Errno 2] No such file or directory: 'outputs/traj/test_0_pX0_traj.pdb'

Hello all. I was able to resolve the issue by directly modifying my .pdb file to only contian the atomic information, as well as inputting my .pdb file into the...

FileNotFoundError: [Errno 2] No such file or directory: 'outputs/traj/test_0_pX0_traj.pdb'

@xinran1129305 make sure you have gpu connected

FileNotFoundError: [Errno 2] No such file or directory: 'outputs/traj/test_0_pX0_traj.pdb'

@xinran1129305 I have gotten the colab notebook to work fine for me; could you please show an image of your inputs so we can help you debug?

Adding greater visibility of plots, as well as scree plots for greater comparison ability

Also added scree plots to the main cpca functions, but not kernel_cpca