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when i try to run the cod on collab here it cames
AttributeError Traceback (most recent call last)
in ()
1 pipeline = vs(n_cpu=8)
2 # Load ligands from a …
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Hello
Adding the [QuickVina ](https://github.com/QVina/qvina)docking engine will be nice. It is already working by simply setting the path for the executable.
```
from oddt.virtualscreening im…
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tried to run the Snippet_1 tutorial and got stuck with this error
C:\Windows\System32\oddt\oddt\virtualscreening.py in dock(self, engine, protein, *args, **kwargs)
246 if engine.lower()…
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Currently, the `n_cpu` parameter in the virtual screening pipeline allows for running several Vina processes concurrently. However, Vina also has support for internal parallelization when run through …
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Hi!
I was taking a look at snippet 1, and I had the same problem with the hydrogen bonds as it was mentioned in issue #67 . After that I installed the pip install git+https://github.com/oddt/oddt.git…
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Try to see if my installation works using script in your paper, but autodockvina gives error. Is the parameters passed to vina normal? Thanks!
from oddt.virtualscreening import virtualscreening as vs…