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Issues list

Fix metatensor dataloader when loading arrays with many samples.
#596 opened May 21, 2025 by bananenpampe
2
Ugly rendering of params in docs Documentation Improvements or additions to documentation
#594 opened May 14, 2025 by tulga-rdn
2
Missing documentation for mtt export in basic usage Documentation Improvements or additions to documentation
#583 opened May 7, 2025 by Luthaf
ase property writer writes unreadble ase files. Bug Something isn't working Infrastructure: Data Related to data handling like readers and datasets
#582 opened May 7, 2025 by bananenpampe
4
Scripting API Discussion Issues to be discussed by the contributors Infrastructure: Miscellaneous General infrastructure issues
#581 opened May 7, 2025 by ceriottm
1
Have PetMAD as an additive model. Discussion Issues to be discussed by the contributors
#577 opened May 7, 2025 by bananenpampe
1
Incompatibility bewteen distributed training and transfer learning / head fine-tuning PET PET architecture
#572 opened May 6, 2025 by GardevoirX
Simple model wrapper Discussion Issues to be discussed by the contributors Infrastructure: Miscellaneous General infrastructure issues
#571 opened May 6, 2025 by frostedoyster
1
Change per_atom to sample_kind Infrastructure: Data Related to data handling like readers and datasets Infrastructure: Miscellaneous General infrastructure issues
#570 opened May 6, 2025 by jwa7
@jwa7
Allow passing additional / auxiliary data Infrastructure: Data Related to data handling like readers and datasets Infrastructure: Miscellaneous General infrastructure issues
#569 opened May 6, 2025 by jwa7
Stage two training with swapped energy and force weights in loss Discussion Issues to be discussed by the contributors
#568 opened Apr 29, 2025 by tulga-rdn
Numerical instabilities in NativePET PET PET architecture Priority: Medium Important issues to address after high priority.
#562 opened Apr 25, 2025 by frostedoyster
1
GitHub action failed because of Hugging Face Infrastructure: Miscellaneous General infrastructure issues
#560 opened Apr 23, 2025 by tulga-rdn
Refactor CompositionModel Infrastructure: Miscellaneous General infrastructure issues Priority: Medium Important issues to address after high priority.
#555 opened Apr 17, 2025 by jwa7
1
@ppegolo @jwa7 @frostedoyster
1
Error when using Disk Dataset for training set and normal datasets for validation and testing
#544 opened Apr 8, 2025 by ppegolo
@frostedoyster
Test rotational augmentation routines Infrastructure: Data Related to data handling like readers and datasets Infrastructure: Miscellaneous General infrastructure issues
#543 opened Apr 8, 2025 by frostedoyster
@MichelangeloDomina @frostedoyster
Refactor sliding_weights in loss Infrastructure: Miscellaneous General infrastructure issues
#542 opened Apr 8, 2025 by frostedoyster
NativePET: avoid concatenation of nodes and edges at every step PET PET architecture
#541 opened Apr 8, 2025 by frostedoyster
Codecov does not pick up coverage for torch-scripted functions Infrastructure: Miscellaneous General infrastructure issues
#540 opened Apr 7, 2025 by frostedoyster
1
Cache checkpoint from remote locations Infrastructure: CLI Related to the command line interface Priority: Medium Important issues to address after high priority.
#525 opened Mar 21, 2025 by frostedoyster
@PicoCentauri
Training crashes when the batch size is larger than the training set size NanoPET NanoPET architecture SOAP BPNN SOAP BPNN architecture
#521 opened Mar 17, 2025 by frostedoyster
@frostedoyster
Replace LayerNorms by RMSNorms NanoPET NanoPET architecture SOAP BPNN SOAP BPNN architecture
#518 opened Mar 12, 2025 by frostedoyster
Cannot write multiple scalar atomic predictions in a multihead model to a file in nanopet. Bug Something isn't working NanoPET NanoPET architecture
#503 opened Feb 23, 2025 by bananenpampe
@bananenpampe
1
Composition model does not work for targets with keys with different properties
#488 opened Feb 14, 2025 by ppegolo
Increase test coverage Priority: Medium Important issues to address after high priority.
#463 opened Jan 29, 2025 by frostedoyster
ProTip! Updated in the last three days: updated:>2025-05-21.