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Pull requests: ACEsuit/mace

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Pull requests list

Fixes bug preventing early stopping from exiting the training loop when not running in distributed mode (issue 1384)
#1502 opened Jun 16, 2026 by richardtomsett Loading…
accelerate stress calculations
#1498 opened Jun 10, 2026 by arnon-1 Loading…
cast torch.Tensor to int type
#1497 opened Jun 10, 2026 by link89 Loading…
Small fix for stress calculation in low-dimensional systems
#1496 opened Jun 9, 2026 by dbidoggia Loading…
3
suppress TorchScript instance-level annotation warning
#1484 opened May 25, 2026 by chengjilai Loading…
1
7
LES extension (dipole, quadrupoles, polarizability, etc.) merge clean
#1478 opened May 15, 2026 by djkim-kr Loading…
Fix types.MethodType of cueq_conv_fusion with CueqConvFusionWrapper for LAMMPS compatibility
#1475 opened May 14, 2026 by malixian Loading…
Fix non-periodic cell inflation causing PolarMACE k-space OOM
#1473 opened May 13, 2026 by samblau Loading…
1
fix linting
#1459 opened May 1, 2026 by alinelena Contributor Loading…
Update docs for lora finetuning
#1454 opened Apr 28, 2026 by hyjwpk Loading…
Add LoRA finetuning support for Contraction
#1453 opened Apr 28, 2026 by hyjwpk Loading…
6
Fix forces acting on constrained atoms when reading from extxyz database
#1448 opened Apr 23, 2026 by yantar92 Loading…
Add PolarMACE support to MaceTorchSimModel
#1441 opened Apr 14, 2026 by orionarcher Loading…
6 of 7 tasks
2
Adding a MACE-MDP foundation model calculator and supporting cueq=True for AtomicDielectricMACE
#1439 opened Apr 14, 2026 by Nilsgoe Contributor Loading…
2
Remove int to int cast
#1431 opened Apr 3, 2026 by n-gao Loading…
Fine tuning with additional arbitrary embeddings.
#1420 opened Mar 21, 2026 by williamdavie Loading…
1
Fix wandb handling of functions in arguement
#1402 opened Mar 7, 2026 by Pragalbhv Loading…
1
Fix non-periodic cell construction in get_neighborhood bug Something isn't working
#1395 opened Mar 3, 2026 by LarsSchaaf Collaborator • Draft
13
permit first block to be non-linear in 'MACE'-type models
#1394 opened Mar 3, 2026 by theochemtheo Contributor Loading…
1
Fix wandb logging on rank>0 and add eval debug instrumentation
#1391 opened Mar 2, 2026 by ilyes319 Contributor Loading…
1 of 2 tasks
Partial hessian
#1338 opened Jan 24, 2026 by Phorbol Loading…
eval_configs: fix node energies bug, simplify force handling
#1327 opened Jan 9, 2026 by ThomasWarford Contributor Loading…
1
fix readme
#1326 opened Jan 8, 2026 by miluchen Loading…
1
support specific files by glob
#1313 opened Dec 24, 2025 by link89 Loading…
fix unused parameters error for distributed training with multihead
#1311 opened Dec 18, 2025 by bernstei Collaborator Loading…
1
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