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Pull requests: lab-cosmo/metatensor

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Pull requests list

Add OpenMM-torch interface
#664 opened Jun 21, 2024 by frostedoyster Loading…
4 tasks
11
Store additional properties in ASE calculator
#658 opened Jun 18, 2024 by frostedoyster Loading…
2 of 4 tasks
6
Implement new standard outputs for atomistic models
#654 opened Jun 16, 2024 by frostedoyster Loading…
2 of 4 tasks
1
8
Re-enabled builds for PyTorch 2.3 on Windows
#651 opened Jun 13, 2024 by Luthaf Loading…
4 tasks
Feature/sort by
#644 opened Jun 1, 2024 by DavideTisi Loading…
5
Actually use MinGW on CI
#643 opened May 31, 2024 by Luthaf Loading…
4 tasks
1
Allow to access wrapped_module of exported models
#623 opened May 17, 2024 by frostedoyster Loading…
4 tasks
3
Port sample/feature selection from equisolve to metatensor-learn
#560 opened Mar 26, 2024 by jwa7 Loading…
2 of 4 tasks
1
19
metatensor-learn error and loss classes
#532 opened Feb 28, 2024 by jwa7 • Draft
4 tasks
2
Implementations of is_contiguous and make_contiguous
#522 opened Feb 20, 2024 by SanggyuChong • Draft
2 of 4 tasks
1
23
metatensor-operations finite difference test for add
#479 opened Feb 2, 2024 by agoscinski Loading…
5 of 6 tasks
30
First pass for the user documentation
#91 opened Jan 6, 2023 by Luthaf Loading…
2 of 3 tasks
10
ProTip! Exclude everything labeled bug with -label:bug.