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RosettaCommons / rosetta

The Rosetta Bio-macromolecule modeling package.
https://www.rosettacommons.org
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add support for PyRosetta ML builds #32

Closed lyskov closed 5 months ago

lyskov commented 6 months ago

add --torch option add --tensorflow option

weitzner commented 6 months ago

Do we want to do this as opposed to supporting importing torch and tensorflow the way we do for hdf5?

lyskov commented 6 months ago

@weitzner i do not think it one-vs-the-other, - in perfect world we can have both. I do agree that in general we should prefer Python implementation but: this could be made available now while so far no one volunteered to rewrite corresponding movers in Python 🤷🏻‍♂️.

weitzner commented 6 months ago

My concern is about the long-term maintainability of this solution as well as the size of the build artifacts.