diffab 在colab 上运行，请教~

[kehan777]

老师您好，
diffab 的功能好强，给抗体设计产生了很多想象的空间，您太棒了！赞一个！
..en, 我在google colab 上捣鼓了一下代码，链接如下，运行测试出现如下问题，能否麻烦您帮看一下，应该怎么解决：
https://colab.research.google.com/drive/1O4vz0A-Y84sOE3dAjePAhL_VmYFhZe8A?usp=share_link

python /content/diffab/design_pdb.py /content/diffab/data/examples/7DK2_AB_C.pdb --config /content/diffab/configs/test/codesign_single.yml

Python 3.8.15
[INFO] Renumbered chain A (H)
[INFO] Renumbered chain B (K)
[INFO] Chain C does not contain valid Fv: Variable chain sequence not recognized: "CPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGXXX"
[2022-12-18 05:44:18,014::sample::INFO] Data ID: 7DK2_AB_C.pdb
[2022-12-18 05:44:18,014::sample::INFO] Results will be saved to ./results/codesign_single/7DK2_AB_C.pdb_2022_12_18__05_44_18
[2022-12-18 05:44:18,185::sample::INFO] Loading model config and checkpoints: ./trained_models/codesign_single.pt
Traceback (most recent call last):
File "/content/diffab/design_pdb.py", line 4, in
design_for_pdb(args_from_cmdline())
File "/content/diffab/diffab/tools/runner/design_for_pdb.py", line 141, in design_for_pdb
ckpt = torch.load(config.model.checkpoint, map_location='cpu')
File "/usr/local/envs/diffab/lib/python3.8/site-packages/torch/serialization.py", line 699, in load
with _open_file_like(f, 'rb') as opened_file:
File "/usr/local/envs/diffab/lib/python3.8/site-packages/torch/serialization.py", line 230, in _open_file_like
return _open_file(name_or_buffer, mode)
File "/usr/local/envs/diffab/lib/python3.8/site-packages/torch/serialization.py", line 211, in init
super(_open_file, self).init(open(name, mode))
FileNotFoundError: [Errno 2] No such file or directory: './trained_models/codesign_single.pt'

CalledProcessError Traceback (most recent call last)
in
----> 1 get_ipython().run_cell_magic('bash', '', 'source activate diffab\n#%%shell\n#eval "$(conda shell.bash hook)" # copy conda command to shell\n#conda config --show\n#conda config --get channels\n#conda list\n# python commands are ready to run within your environment\npython --version\npython /content/diffab/design_pdb.py /content/diffab/data/examples/7DK2_AB_C.pdb --config /content/diffab/configs/test/codesign_single.yml\n#python /content/diffab/diffab/tools/runner/design_for_pdb.py /content/diffab/data/examples/7DK2_AB_C.pdb --config /content/diffab/configs/test/abopt_singlecdr.yml\n')

3 frames
/usr/local/lib/python3.8/dist-packages/IPython/core/interactiveshell.py in run_cell_magic(self, magic_name, line, cell)
2357 with self.builtin_trap:
2358 args = (magic_arg_s, cell)
-> 2359 result = fn(*args, **kwargs)
2360 return result
2361

/usr/local/lib/python3.8/dist-packages/IPython/core/magics/script.py in named_script_magic(line, cell)
140 else:
141 line = script
--> 142 return self.shebang(line, cell)
143
144 # write a basic docstring:

in shebang(self, line, cell)

/usr/local/lib/python3.8/dist-packages/IPython/core/magic.py in (f, *a, **k)
185 # but it's overkill for just that one bit of state.
186 def magic_deco(arg):
--> 187 call = lambda f, *a, **k: f(*a, **k)
188
189 if callable(arg):

/usr/local/lib/python3.8/dist-packages/IPython/core/magics/script.py in shebang(self, line, cell)
243 sys.stderr.flush()
244 if args.raise_error and p.returncode!=0:
--> 245 raise CalledProcessError(p.returncode, cell, output=out, stderr=err)
246
247 def _run_script(self, p, cell, to_close):

CalledProcessError: Command 'b'source activate diffab\n#%%shell\n#eval "$(conda shell.bash hook)" # copy conda command to shell\n#conda config --show\n#conda config --get channels\n#conda list\n# python commands are ready to run within your environment\npython --version\npython /content/diffab/design_pdb.py /content/diffab/data/examples/7DK2_AB_C.pdb --config /content/diffab/configs/test/codesign_single.yml\n#python /content/diffab/diffab/tools/runner/design_for_pdb.py /content/diffab/data/examples/7DK2_AB_C.pdb --config /content/diffab/configs/test/abopt_singlecdr.yml\n'' returned non-zero exit status 1.