diff --git a/.gitignore b/.gitignore index 2e1961a1..3d18774c 100644 --- a/.gitignore +++ b/.gitignore @@ -1,13 +1,11 @@ # package install *.egg-info dist -build # cache __pycache__ # datasets -*.json *.json.gz *.json.bz2 *.csv.bz2 diff --git a/models/mace/train_mace.py b/models/mace/train_mace.py index 8a149381..f13431f2 100644 --- a/models/mace/train_mace.py +++ b/models/mace/train_mace.py @@ -36,11 +36,8 @@ __date__ = "2023-09-18" -# Running this script requires merging the multi-gpu and develop branches of the MACE -# repo. Presumably, the next MACE repo release will include these changes at which point -# this script can be run by simply installing the latest MACE release. For now, run -# pip install git+https://github.com/ACEsuit/mace@develop -# pip install git+https://github.com/chiang-yuan/mace@mbd +# This script requires installing MACE. +# pip install git+https://github.com/ACEsuit/mace module_dir = os.path.dirname(__file__) @@ -555,7 +552,7 @@ def main(**kwargs: Any) -> None: logging.info(model) logging.info(f"Number of parameters: {tools.count_parameters(model)}") - logging.info(f"Optimizer: {optimizer}") + logging.info(f"{optimizer=}") if args.wandb: logging.info("Using Weights and Biases for logging")