pLM-BLAST
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add cuda support for `plmblast.py`
It seems that part of mathematical operations should be done on gpu - which may speed up the whole search.
This task will require to create a specific embedding loader for main loop. Which should
- [ ] load embeddings directly into cuda device ( use
map_location
intorch.load
) - [ ] calculate substitution matrix and optionally signal enh
both on
gpu
- [ ] remove the need of
concurrent/multiprocessing
packages all multiprocessing routines should usetorch.multiprocessing
Further main loop should work on cpu, (from this point: https://github.com/labstructbioinf/pLM-BLAST/blob/24c136d7443439afbadab9e0156af29861897644/alntools/base.py#L62 ) it will be the best to cpu and gpu based steps will be async so there will be on bottlenecks
For now I suggest to work on copy of scripts/plmblast.py
for instance scripts/plmblastgpu.py