Hi, I am wondering is that possible to run the pyRosetta scripts on GPU.
Or how much benefit would be there to do so?
Generally speaking, it's not possible. We're playing around with Rosetta integration onto GPU; nobody has looked at pyrosetta integration.
There would likely be speed benefits, but it's an open question if they'd outweigh the developer time cost in getting it working.
I see. Thanks for the reply. Sounds like the regular Rosetta package is under development for GPU, correct? Is there a schedule for releasing of the Rosetta GPU package?
There is no official schedule for releasing GPU code, nor is all of Rosetta being ported, only a few pieces so far.
It seems there is a cuda version of python, would that be possible just transfer the python modules to the pycuda? I guess technically should be no problem, but it will be a lot of work anyhow. Thanks again.