Changes between Version 2 and Version 3 of Ticket #17550
- Timestamp:
- May 6, 2025, 7:57:05 PM (6 months ago)
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Ticket #17550 – Description
v2 v3 27 27 11) Figure out if there are any speed optimizations for Torch / Boltz on Intel CPUs on Windows. Not too likely, but this platform is really slow. 28 28 29 12) Make installing Torch with CUDA an option, or maybe better do it automatically if we detect nvidia graphics. Can probably just look at the OpenGL driver version in ChimeraX to look for Nvidia.29 12) Same as 17. 30 30 31 31 13) Allow setting up multiple predictions and queueing them to run one at a time. The history panel proposed in item (6) could list the queued jobs and say whether the are still waiting to run and allow you to select which one to run next overriding the submission order. … … 37 37 16) Enable setting up runs of a protein or complex against a series of N ligands, like what we did with the macromethods course in January 2025 running all FDA compounds against virus targets. 38 38 39 17) Install cuda-enabled torch on Windows when Nvidia graphics is available . Currently PyPi torch or Windows is CPU only. Also make default device use the GPU on Windows if Nvidia and torch with cuda available.39 17) Install cuda-enabled torch on Windows when Nvidia graphics is available (#17573). Currently PyPi torch or Windows is CPU only. Also make default device use the GPU on Windows if Nvidia and torch with cuda available (#17572).