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train_mace.py update pip install mace comment
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janosh committed Nov 22, 2023
1 parent af1d7ad commit dad2563
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Showing 2 changed files with 3 additions and 8 deletions.
2 changes: 0 additions & 2 deletions .gitignore
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# package install
*.egg-info
dist
build

# cache
__pycache__

# datasets
*.json
*.json.gz
*.json.bz2
*.csv.bz2
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9 changes: 3 additions & 6 deletions models/mace/train_mace.py
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__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__)

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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")
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