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Pull requests: metatensor/metatrain

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Pull requests list

Upgrade to metatensor-torch 0.7.5
#548 opened Apr 11, 2025 by frostedoyster Loading…
Implement augmentation for rank-2 Cartesian tensors
#547 opened Apr 11, 2025 by frostedoyster Loading…
4 tasks
Change per_atom -> sample_kind
#536 opened Apr 4, 2025 by jwa7 Draft
4 tasks
Use torch-spex instead of featomic for SOAP-BPNN
#520 opened Mar 14, 2025 by ppegolo Loading…
4 tasks
Fix combined dataloader
#519 opened Mar 13, 2025 by frostedoyster Loading…
Added functionality for fine-tuning the PET heads only
#517 opened Mar 11, 2025 by MarkusFas Loading…
4 tasks
Example polarizability for QM7x subset
#506 opened Feb 24, 2025 by ppegolo Loading…
NanoPET on basis
#505 opened Feb 24, 2025 by jwa7 Draft
Enable electron density learning
#491 opened Feb 16, 2025 by frostedoyster Loading…
1 of 2 tasks
Polarizability example with the Tensor Basis
#480 opened Feb 12, 2025 by ppegolo Loading…
Enable fast attention in nanoPET
#454 opened Jan 26, 2025 by frostedoyster Loading…
Add PhACE architecture
#434 opened Dec 17, 2024 by frostedoyster Loading…
11 tasks done
Speed up tests
#430 opened Dec 16, 2024 by frostedoyster Draft
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