Skip to content

Pull requests: ACEsuit/mace

New pull request New
58 Open 452 Closed
58 Open 452 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Assigned to nobody Loading
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

Checkpoint interaction neighbor normalization
#1538 opened Jul 26, 2026 by darthjaja6 • Draft
Test hybrid multi-head backend parity
#1537 opened Jul 26, 2026 by darthjaja6 • Draft
Add control of dispersion coordination cutoff in mace_mp
#1536 opened Jul 24, 2026 by bernstei Collaborator Loading…
Allow imports to work if openequivariance is installed but not running on supported GPU
#1534 opened Jul 22, 2026 by bernstei Collaborator Loading…
3
Fix non-periodic cell in get_neighborhood: extent-based padding + physical cell on partial PBC
#1533 opened Jul 22, 2026 by aacostadiaz Collaborator Loading…
6
Register all parameters in optimizer groups explicitly
#1529 opened Jul 20, 2026 by steffen-wedig Loading…
7
update mace_polar instructions
#1526 opened Jul 17, 2026 by alinelena Contributor Loading…
1
Add optional NVIDIA electrostatics backend for PolarMACE
#1524 opened Jul 15, 2026 by ilyes319 Contributor • Draft
4
removing ipex, and fixing multigpu detection help from @AbrarFaiyad
#1522 opened Jul 13, 2026 by alvarovm Loading…
16
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…
14
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
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…
5
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
ProTip! Add no:assignee to see everything that’s not assigned.