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Pull requests: metatensor/metatrain

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Pull requests list

Rewrite loss config expansion and tests
#890 opened Nov 3, 2025 by ppegolo Loading…
2 of 4 tasks
2
[BUG] Isolation of tests in pet
#882 opened Oct 31, 2025 by pfebrer Loading…
8
Add an easier way to integrate an MLIP-only architecture
#876 opened Oct 31, 2025 by frostedoyster Loading…
3 of 5 tasks
17
bug(pet): Add guardrails to prevent domain decomp. errors
#864 opened Oct 29, 2025 by HaoZeke Loading…
1
4
Documenting hyperparameters in python
#863 opened Oct 29, 2025 by pfebrer Loading…
32
Improve DiskDataset performance
#859 opened Oct 24, 2025 by RMeli • Draft
9
Improve warning from scaler when samples are missing
#856 opened Oct 23, 2025 by Luthaf Loading…
5 tasks
Add experimental.mace architecture
#846 opened Oct 20, 2025 by pfebrer Loading…
10 of 15 tasks
21
Fix the handling of num_epochs for restart and finetune contexts
#845 opened Oct 20, 2025 by jwa7 Loading…
1 of 5 tasks
16
Allow training variants
#827 opened Oct 15, 2025 by frostedoyster • Draft
2 of 4 tasks
1
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…
4
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(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
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
Remove validation dataset batch size constraints to allow small validation sets
#712 opened Aug 12, 2025 by Copilot AI Loading…
1
@frostedoyster
15
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
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