id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
17832	LocScale-SURFER bundle development for Mac OS	A.Bharadwaj@…	Tom Goddard	"{{{
Hello,

I'm developing the bundle LocScale-SURFER with Arjen Jakobi.
  https://cxtoolshed.rbvi.ucsf.edu/apps/chimeraxlocscalesurfer

The tool uses a pytorch model to predict detergent micelles for the cryoEM maps of membrane proteins. To speed up the computation, we use a GPU for the predictions. Currently it does not use GPUs for Apple MPS systems. One problem I face while implementing mps support is that  Conv3D layers are not supported on MPS. Since our model uses Conv3D layers, this really prevents us from using the GPUs in Apple devices.

However, I notice that if I run the prediction outside of ChimeraX development environment and inside a custom conda environment I am able to run the pytorch model with MPS support. I installed pytorch 2.7 using defaults conda channels. I wondered if it is possible to install packages from conda channels for Bundle development and distribution?

Note;
Currently I am testing on Apple silicon M2, ChimeraX version 1.8

Let me know if I need to provide anything else.

Cheers,
Alok


}}}
"	defect	closed	normal		Tool Shed		limitation		chimerax-programmers				all	ChimeraX