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44 Open 210 Closed
44 Open 210 Closed
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Issues list

better default for device used to _save_ model in run_train
#635 opened Oct 11, 2024 by bernstei
2
Model architecture with --model="ScaleShiftMACE"
#633 opened Oct 10, 2024 by wcwitt
Unit of get_potential_energy()
#630 opened Oct 10, 2024 by and-tos
1
multihead fine-tuning starting from a previously fit model gives a tensor size error (E0 related?)
#622 opened Oct 3, 2024 by bernstei
Mat shape missing match for Multihead fine-tune bug Something isn't working
#615 opened Oct 1, 2024 by MengnanCui
10
Error when specifying more e0s then present in training set
#605 opened Sep 23, 2024 by LarsSchaaf
1
MACE with latest version of LAMMPS, giving error enhancement New feature or request lammps
#587 opened Sep 9, 2024 by ShubhangG
4
universal loss (at least in multi-head-interface branch) does not support per-config weight bug Something isn't working
#558 opened Aug 20, 2024 by bernstei
Remove e3nn version pin
#555 opened Aug 17, 2024 by Andrew-S-Rosen
2
Move to ruff for linting and formating? enhancement New feature or request
#534 opened Jul 27, 2024 by CompRhys
5
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
Improve plotting script enhancement New feature or request
#524 opened Jul 18, 2024 by ilyes319
Problems with parallelization on CPU (Using LAMMPS) lammps
#520 opened Jul 17, 2024 by MarcoRavalli
1
Segmentation fault during LAMMPS-MACE-CPU run lammps
#519 opened Jul 17, 2024 by fcannizzaro-byte
1
Issue on integrating lammps with MACE potential lammps
#507 opened Jul 8, 2024 by aishwaryo
10
LAMMPS-GPU (mace) installed Failed lammps
#503 opened Jul 5, 2024 by waywaygirl
3
Could you please share with more examples that use MACE in LAMMPS? lammps
#497 opened Jul 1, 2024 by waywaygirl
5
How to use LAMMPS to train a larger system? lammps
#476 opened Jun 20, 2024 by stargolike
6
First experiment using lammps with a pretrained potential (mace mp0) lammps
#473 opened Jun 19, 2024 by nihil39
6
How to use multi-training without slurm system? multi-gpu
#458 opened Jun 11, 2024 by stargolike
18
select pretrained configs for multihead replay with or without replacement? multi-head
#432 opened May 30, 2024 by bernstei
2
Dipole fitting on multi-GPU enhancement New feature or request
#430 opened May 27, 2024 by VondrakMar
How to run multi-GPU with mace-lammps? lammps
#414 opened May 11, 2024 by stargolike
error table sometimes missing stress/virial columns
#395 opened Apr 26, 2024 by bernstei
1
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