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Hi, I'm a beginner of Molecular field and cheminformatics.
So I have a difficulty in using this github code.
I try to get a atom's 3D coordinates of molecules, when inferencing using this model.
I already read issue #100 , but I couldn't understand how to utilize this part, single_dock_with_gradient.
Would you explain more details of changing 3D embedding vector to 3D coordinates method?
I'd really appreciate for it if anyone advise me this problem.
Thank you.
The text was updated successfully, but these errors were encountered:
Hi, I'm a beginner of Molecular field and cheminformatics.
So I have a difficulty in using this github code.
I try to get a atom's 3D coordinates of molecules, when inferencing using this model.
I already read issue #100 , but I couldn't understand how to utilize this part, single_dock_with_gradient.
Would you explain more details of changing 3D embedding vector to 3D coordinates method?
I'd really appreciate for it if anyone advise me this problem.
Thank you.
The text was updated successfully, but these errors were encountered: