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arneschneuing / DiffSBDD

A Euclidean diffusion model for structure-based drug design.
MIT License
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Problem on process_bindingmoad.py #5

Closed lianghsun closed 2 years ago

lianghsun commented 2 years ago

Hi there, thanks for an interesting implemantion of DiffSBDD. I have encountered the following problem when I try to preprocess the bindingmoad dataset:

#failed: 130: 100%|█████| 130/130 [00:00<00:00, 11105.76it/s]
Traceback (most recent call last):
  File "/home/user/Code/DiffSBDD/process_bindingmoad.py", line 571, in <module>
    lig_coords = np.concatenate(lig_coords, axis=0)
  File "<__array_function__ internals>", line 180, in concatenate
ValueError: need at least one array to concatenate

How should I fix this problem? Thanks

lianghsun commented 2 years ago

OK, i figure out what happening. basedir should not contain BindingMOAD_2020. 😂