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Pull requests: ACEsuit/mace

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Pull requests list

Fix forces acting on constrained atoms when reading from extxyz database
#1448 opened Apr 23, 2026 by yantar92 Loading…
Only plot head-specific test set in results for multihead models
#1445 opened Apr 22, 2026 by joehart2001 Loading…
Adding Documentation for MACE-MDP for PR #1439
#1442 opened Apr 14, 2026 by Nilsgoe Contributor 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…
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 • Draft
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 Loading…
Fix wandb logging on rank>0 and add eval debug instrumentation
#1391 opened Mar 2, 2026 by ilyes319 Contributor Loading…
1 of 2 tasks
Add first party support for MACE TorchSim Model Interface
#1387 opened Feb 28, 2026 by abhijeetgangan Loading…
CI tooling speedup.
#1378 opened Feb 23, 2026 by CompRhys Contributor Loading…
3
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
Write files only from root process when distributed
#1310 opened Dec 18, 2025 by bernstei Collaborator Loading…
1
1
Feat/batched nl
#1299 opened Dec 4, 2025 by venkatkapil24 Collaborator Loading…
Undo incorrect removal of filtering of missing data for some per-atom quantities
#1293 opened Nov 26, 2025 by bernstei Collaborator Loading…
2
feat: add Multiple-Instance Learning (conjunctive) pooling option to MACE
#1251 opened Oct 29, 2025 by JIABI Loading…
[DRAFT] AddingMagneticMACE
#1244 opened Oct 24, 2025 by CheukHinHoJerry Collaborator Loading…
6
[DRAFT] Add partial charge prediction to EnergyDipoleMACE
#1185 opened Sep 16, 2025 by jan-vavrin Loading…
1
Add CUEQ Parameterization to test_benchmark.py
#1184 opened Sep 15, 2025 by ThomasWarford Contributor Loading…
8
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