Related Issues (20)
- MACE minimal NaCl example on pretrained Materials Project not working HOT 7
- units in dataset of liquid water example HOT 1
- Cannot allocate memory while using eval_config.py HOT 2
- argparse should report defaults when using --help
- foundations branch run_train.py fails with a foundation_model that is float64 HOT 3
- `mace.calculators.foundations_models` should really be named `.foundation_models`
- MACE LAMMPS in plugin mode HOT 3
- logical error in isolated atom identification HOT 1
- MACE-LAMMPS meta issue HOT 1
- Train/Val MAE for MACE on MPTraj HOT 1
- cuda device with a number ignored HOT 1
- Poor energy & force metrics on paper's datasets (carbon nanotube, buckyball catcher) HOT 2
- Can we use pretrain model (mace_mp) and retrain with our configurations? HOT 2
- Multi-GPU evaluation for optimisation of a full protein structure HOT 1
- checkpoint file not read in foundation branch. HOT 7
- Error while using foundation branch HOT 8
- Update install instructions for conda-forge HOT 5
- loss function evaluated as zero. HOT 2
- Setting `dispersion=True` in the MACE-MP-0 foundation model omits data from `calc.results` HOT 1
- LAMMPS-MACE with Kokkos: Illegal memory access encountered with trained MACE but works with MP-MACE-0 HOT 51
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