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mattragoza / LiGAN

Deep generative models of 3D grids for structure-based drug discovery
GNU General Public License v2.0
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gnina minmize problem #50

Closed INHYEOKSONG closed 2 years ago

INHYEOKSONG commented 2 years ago

hello. Thank you for sharing liGAN. I applied gnina mimize to liGAN a few months ago and used it well, but like the method you shared while setting up the new one, I cloned the most recent LiGAN git and build molgrid and liGAN normally. 1) sh download_weights.sh 2) python3 generate.py config/generate.config

Installed gnina confirmed working 2nd photo.

I ran it as before through the command. However, the generation process did not proceed because of gnina, which was used a few months ago. Please check once 스크린샷 2022-08-01 오후 2 59 49 스크린샷 2022-08-02 오후 4 03 19

INHYEOKSONG commented 2 years ago

sorry. This issue has been resolved.

mattragoza commented 2 years ago

Notice the message in the GNINA STDERR section: "Runtime Error: all CUDA-capable devices are busy or unavailable"

For anyone else who runs into this issue, was that indeed the problem?