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Pull requests: metatensor/metatrain

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Pull requests list

Fix dataset link
#839 opened Oct 17, 2025 by frostedoyster Loading…
1
1
Documentation Addition: Training YAML Reference
#835 opened Oct 16, 2025 by HowWeiBin Loading…
Add experimental.mace architecture
#832 opened Oct 16, 2025 by jwa7 • Draft
19 tasks
4
Add Dos-loss
#830 opened Oct 16, 2025 by HowWeiBin Loading…
4 tasks
@HowWeiBin
1
Speed up PET backward indexing
#828 opened Oct 15, 2025 by frostedoyster Loading…
5
Allow training variants
#827 opened Oct 15, 2025 by frostedoyster • Draft
2 of 4 tasks
1
Add an option to inherit head weights during fine-tuning
#826 opened Oct 14, 2025 by abmazitov • Draft
2 of 5 tasks
Architecture coverage test
#803 opened Oct 8, 2025 by sofiia-chorna Loading…
7
Don't always re-train when creating the documentation
#797 opened Oct 8, 2025 by johannes-spies Loading…
1
Avoid redundant work in _compute_single_neighbor_list for full neighbor list
#788 opened Oct 8, 2025 by sirmarcel Loading…
3 of 5 tasks
2
chore(tox): faster with uv and caches
#787 opened Oct 8, 2025 by HaoZeke Loading…
24
chore(cache): for generating test outputs
#786 opened Oct 8, 2025 by HaoZeke Loading…
11
chore(dep): add sphinx-needs
#764 opened Oct 7, 2025 by HaoZeke • Draft
5
Allow 3D and 2D structures for ewald calculations + add MLP for outputs
#756 opened Sep 26, 2025 by E-Rum • Draft
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
18
Refactor PET-DOS
#721 opened Aug 14, 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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