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Pull requests: metatensor/metatrain

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Pull requests list

Allow 3D and 2D structures for ewald calculations + add MLP for outputs
#756 opened Sep 26, 2025 by E-Rum • Draft
add required schema
#755 opened Sep 26, 2025 by DavideTisi Loading…
1
[Speed] Allow data-loading with parallel workers
#754 opened Sep 26, 2025 by frostedoyster • Draft
3
Feed target names to readers to allow correct property names
#753 opened Sep 26, 2025 by frostedoyster Loading…
2 of 4 tasks
6
Pet implement sample selection for features
#752 opened Sep 25, 2025 by MarkusFas Loading…
3 of 5 tasks
Refactor LLPR into a metatrain architecture
#746 opened Sep 11, 2025 by frostedoyster Loading…
5 tasks done
1
10
Try to see which tests are slow on CSCS
#745 opened Sep 9, 2025 by Luthaf • Draft
5 tasks
2
Add FlashMD architecture
#742 opened Sep 8, 2025 by johannes-spies • Draft
@johannes-spies @frostedoyster
2
LLPR extensions for ensemble recalibration
#728 opened Aug 20, 2025 by SanggyuChong • Draft
dpa3 architecture
#725 opened Aug 15, 2025 by littlepeachs Loading…
9 of 19 tasks
11
Refactor PET-DOS
#721 opened Aug 14, 2025 by jwa7 • Draft
5 tasks
[WIP] Refactor Scaler to compute per-block, per-property scales
#715 opened Aug 13, 2025 by jwa7 • Draft
5 tasks
Pet dos
#714 opened Aug 12, 2025 by jwa7 • Draft
Remove validation dataset batch size constraints to allow small validation sets
#712 opened Aug 12, 2025 by Copilot AI Loading…
1
@frostedoyster @Copilot
11
Refactor pet
#662 opened Jul 10, 2025 by MichelangeloDomina • Draft
1
Add UEA (Universal Equivariant Approximator) architecture
#660 opened Jul 10, 2025 by frostedoyster Loading…
11 of 15 tasks
PET for spherical targets on atomic basis sets
#641 opened Jun 30, 2025 by jwa7 • Draft
4 tasks
Adds a multi property example
#578 opened May 7, 2025 by bananenpampe Loading…
1 task done
@PicoCentauri
1
Add PhACE architecture
#434 opened Dec 17, 2024 by frostedoyster Loading…
11 tasks done
@frostedoyster
24
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