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ERROR: pair_mace does not support vflag_atom when run lammps-mace
enhancement
New feature or request
#756
opened Dec 18, 2024 by
liubaoshuai1402
Problem in computing body order energy contributions when evaluating a test set
#751
opened Dec 16, 2024 by
nihil39
cuEq-accelerated MACE gives error for num_interactions=1
enhancement
New feature or request
#749
opened Dec 13, 2024 by
lucasdekam
MACE 0.3.9 can not jit compile model trained with previous versions
bug
Something isn't working
#741
opened Dec 9, 2024 by
lohedges
RuntimeError: mat1 and mat2 shapes cannot be multiplied when calling get_potential_energy()
bug
Something isn't working
#728
opened Dec 2, 2024 by
GUANGZChen
Unable to start finetuning
enhancement
New feature or request
#724
opened Nov 29, 2024 by
cecilia-hong
Python lower than 3.10 (3.7 3.8 3.9) not supported
bug
Something isn't working
#699
opened Nov 15, 2024 by
MicPellegrino
The inconsistent property key for Multihead
bug
Something isn't working
#692
opened Nov 13, 2024 by
MengnanCui
Stacked at evaluation at the end of training for multi-GPU and patience termination
bug
Something isn't working
#677
opened Nov 8, 2024 by
dbidoggia
Use proper logging instead of print statements
enhancement
New feature or request
#650
opened Oct 22, 2024 by
Andrew-S-Rosen
MACE compile mode test failures with InternalTorchDynamoError and Unsupported exceptions in main
bug
Something isn't working
#639
opened Oct 15, 2024 by
yixian929
better default for device used to _save_ model in run_train
enhancement
New feature or request
#635
opened Oct 11, 2024 by
bernstei
Model architecture with --model="ScaleShiftMACE"
enhancement
New feature or request
#633
opened Oct 10, 2024 by
wcwitt
Error when specifying more e0s then present in training set
enhancement
New feature or request
#605
opened Sep 23, 2024 by
LarsSchaaf
universal loss (at least in multi-head-interface branch) does not support per-config weight
bug
Something isn't working
Remove New feature or request
e3nn
version pin
enhancement
#555
opened Aug 17, 2024 by
Andrew-S-Rosen
Move to ruff for linting and formating?
enhancement
New feature or request
#534
opened Jul 27, 2024 by
CompRhys
Change stress to virials internally
enhancement
New feature or request
#527
opened Jul 19, 2024 by
ilyes319
Automatically add parameters to optimizer
enhancement
New feature or request
#525
opened Jul 19, 2024 by
LarsSchaaf
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