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mala-project / mala Public

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Implement on-the-fly descriptor calculation#630

Draft

RandomDefaultUser wants to merge 17 commits intomala-project:developmala-project/mala:developfrom RandomDefaultUser:descriptors_on_the_flyRandomDefaultUser/mala:descriptors_on_the_flyCopy head branch name to clipboard

+557-134

Conversation Commits17 (17)Checks Files changed

Commits

Commits on Jan 6, 2025

On-the-fly training works for the RAM case
RandomDefaultUser
committed
Lazy Loading training works now
RandomDefaultUser
committed

Commits on Jan 7, 2025

Checkpointing works now as well
RandomDefaultUser
committed
Made method private
RandomDefaultUser
committed
Tester class now also works with on-the-fly calculations
RandomDefaultUser
committed
Prefetching works
RandomDefaultUser
committed
Is this already enought to get DDP working?
RandomDefaultUser
committed
Merge branch 'refs/heads/develop_lenz' into descriptors_on_the_fly
RandomDefaultUser
committed
Renamed "additional info", since it will be used more regularly with these changes
RandomDefaultUser
committed

Commits on Jan 8, 2025

Fixing a parallel writing bug
RandomDefaultUser
committed
Can I use DDP and MPI at the same time?
RandomDefaultUser
committed
It does not help
RandomDefaultUser
committed
Getting rid of the parallel modification for now
RandomDefaultUser
committed

Commits on Jan 9, 2025

Shuffling from atomic positions works now
RandomDefaultUser
committed
Shuffling now works as part of the temporary pipeline
RandomDefaultUser
committed
Fixed docstrings
RandomDefaultUser
committed
Added automatic snapshot type detection
RandomDefaultUser
committed

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