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CAODH / EquiScore

MIT License
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about pocket generation #7

Open Sunyn2001 opened 2 weeks ago

Sunyn2001 commented 2 weeks ago

Hello, I use the example code for some new data. There are some bug in the process of pocket generation, to be specific, there is nothing in the dir of pockets, thus I cannot launch the code for the last step. How to solve this bug? Thank you very much!

CAODH commented 1 week ago

could you please upload some error information?

Sunyn2001 commented 6 days ago

The process of get_pocket.sh has nothing wrong, but the pocket dir has nothing. Thus, there is something wrong with Screening.py at the final step, to be specific: for idx in self.sampler: File "/data/EquiScore/utils/dist_utils.py", line 134, in iter indices+=[indices[-1]] * (self.total_size - len(indices)) IndexError: list index out of range