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32 Open 136 Closed
32 Open 136 Closed
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Issues list

Error reading 'extended' xyz format files
#415 opened May 12, 2024 by venkatkapil24
6
How to run multi-GPU with mace-lammps?
#414 opened May 11, 2024 by stargolike
a couple of weird statements in new multihead fine-tuning interface code
#408 opened May 5, 2024 by bernstei
2
error table sometimes missing stress/virial columns
#395 opened Apr 26, 2024 by bernstei
1
need to be able to specify what head is used for _prediction_ with a multihead model
#390 opened Apr 23, 2024 by bernstei
1
dict_to_array (in multi-head-finetune) does not ensure E0s are in correct order
#382 opened Apr 19, 2024 by bernstei
undefined calc in multi-head-finetune branch run_train.py
#380 opened Apr 18, 2024 by bernstei
1
1
E0 bug in multi-head fine tuning
#371 opened Apr 6, 2024 by bernstei
3
some parameters are None in foundation branch
#361 opened Mar 28, 2024 by jungsdao
repulsion branch DistributedEnvironment exception produces no output
#333 opened Mar 1, 2024 by bernstei
1
Don't modify torch default dtype
#328 opened Feb 24, 2024 by janosh
1
multi-gpu lammps issue lammps
#322 opened Feb 11, 2024 by hwsheng
6
Update install instructions for conda-forge
#313 opened Feb 1, 2024 by jthorton
5
cuda device with a number ignored
#301 opened Jan 18, 2024 by bernstei
1
MACE-LAMMPS meta issue lammps
#278 opened Jan 6, 2024 by wcwitt
10 tasks
1
logical error in isolated atom identification bug Something isn't working
#276 opened Jan 5, 2024 by sandipde
@ilyes319
1
MACE LAMMPS in plugin mode enhancement New feature or request lammps
#271 opened Dec 28, 2023 by saltball
3
mace.calculators.foundations_models should really be named .foundation_models
#269 opened Dec 23, 2023 by Andrew-S-Rosen
argparse should report defaults when using --help enhancement New feature or request
#266 opened Dec 19, 2023 by bernstei
"node_energy" in implemented properties make ase singlepoint calculator angry!
#256 opened Dec 9, 2023 by sandipde
14
Mixed precision output enhancement New feature or request
#211 opened Nov 4, 2023 by ilyes319
@ilyes319
LAMMPS on multiple GPUs lammps
#195 opened Oct 19, 2023 by Felixrccs
35
LAMMPS-MACE compute error lammps
#193 opened Oct 16, 2023 by Felixrccs
4
Multi-gpu simulation and simulation speed attenuation of MACE-OPENMM OpenMM
#181 opened Oct 3, 2023 by clecust
3
restarting with swa error multi-gpu
#172 opened Sep 25, 2023 by mlfffinder
1
ProTip! no:milestone will show everything without a milestone.