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Pull requests: metatensor/metatrain

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Pull requests list

New dos loss
#1157 opened Jun 5, 2026 by HowWeiBin Contributor Loading…
5 tasks
2
Bump astral-sh/setup-uv from 8.1.0 to 8.2.0 in the action-dependencies group dependencies Pull requests that update a dependency file github_actions Pull requests that update GitHub Actions code
#1155 opened Jun 3, 2026 by dependabot Bot Loading…
rename deprecated metatomic 0.1.12 plural names to singular form
#1151 opened May 21, 2026 by sofiia-chorna Collaborator Loading…
14
Add requested_inputs to FlashMD and FlashMDSymplectic
#1149 opened May 19, 2026 by johannes-spies Contributor • Draft
1
1
Optimize max atom sampler
#1142 opened May 11, 2026 by JonathanSchmidt1 Contributor Loading…
3 of 5 tasks
1
DPA3: ensure correct unscaling of targets and predictions before metric computation
#1141 opened May 11, 2026 by jwa7 Member Loading…
1 task
fix: handle missing gradients in remove_additive for mixed datasets
#1140 opened May 10, 2026 by ChaitanyaParate Contributor Loading…
1
Fix overriding the model weights upon restarting the PET fine-tuning run
#1139 opened May 9, 2026 by abmazitov Contributor Loading…
5 tasks
3
Add edge tokens cutoff filter in PET
#1132 opened May 4, 2026 by abmazitov Contributor • Draft
5 tasks
Added JSON schema to the docs
#1105 opened Apr 13, 2026 by pfebrer Contributor Loading…
11
test: swap metatensor deps for v0.2.0 compat
#1101 opened Apr 8, 2026 by HaoZeke Member • Draft
2
Avoid overriding successive target regularizers in LLPR Cholesky decomposition
#1100 opened Apr 7, 2026 by frostedoyster Collaborator Loading…
2
PhACE: Remove validation dataset size check
#1099 opened Apr 3, 2026 by pfebrer Contributor Loading…
Unpin mace version
#1094 opened Mar 31, 2026 by pfebrer Contributor Loading…
Spin/Charge System Conditioning
#1080 opened Mar 22, 2026 by JonathanSchmidt1 Contributor Loading…
2 of 5 tasks
27
Move all files generated by examples in a data subfolder
#1078 opened Mar 18, 2026 by Luthaf Member • Draft
2 of 5 tasks
Extract arbitrary features from PET
#1076 opened Mar 17, 2026 by jwa7 Member • Draft
3 of 5 tasks
2
Clearer validation errors
#1072 opened Mar 14, 2026 by pfebrer Contributor Loading…
Add the possibility to retrieve descriptions from datasets
#1052 opened Feb 25, 2026 by pfebrer Contributor Loading…
2
feat(torch.compile): PET FX compilation
#1029 opened Feb 2, 2026 by HaoZeke Member Loading…
4 of 5 tasks
26
Add experimental.graph2mat architecture
#979 opened Dec 15, 2025 by pfebrer Contributor Loading…
16 tasks
Replace torch.nn.Module with metatensor.torch.learn.nn.Module
#938 opened Nov 21, 2025 by GardevoirX Contributor • Draft
5 tasks
13
chore(cache): for generating test outputs
#786 opened Oct 8, 2025 by HaoZeke Member Loading…
11
chore(dep): add sphinx-needs
#764 opened Oct 7, 2025 by HaoZeke Member • Draft
5
ProTip! Updated in the last three days: updated:>2026-06-05.