You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
There are currently 6 examples (4 Vina + 2 AD-GPU). Each is one single-docking experiment. The procedure is slightly different but the general workflow is the same.
These examples may need some final touch to be up to date with the recent changes we made to the command line scripts.
Specifically:
Syntax change & a brief explanation (-o -v -g -j)
Branch: use release when we have the next one
The updates will be made directly on the linked notebook. Therefore, it's safe to merge before we finalize the notebook contents.
I'm adding 1-2 more screening examples in future.
I have a plan but I haven't started writing them yet, so I don't have an ETA... They will use AD-GPU and involve post-processing by Ringtail. And a different workflow picture.
The text was updated successfully, but these errors were encountered:
Merged #354. The existing notebooks and published tutorials for Vina & meek are up to date with the current release (v0.6.0). Will start task 2 after some revision of the rsd3 website
Hi, I just pushed the Colab examples to readthedoc.
https://meeko.readthedocs.io/en/readthedocs/colab_examples.html
There are currently 6 examples (4 Vina + 2 AD-GPU). Each is one single-docking experiment. The procedure is slightly different but the general workflow is the same.
Specifically:
The updates will be made directly on the linked notebook. Therefore, it's safe to merge before we finalize the notebook contents.
I have a plan but I haven't started writing them yet, so I don't have an ETA... They will use AD-GPU and involve post-processing by Ringtail. And a different workflow picture.
The text was updated successfully, but these errors were encountered: