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fixed readme typos, and commit
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ilyes319 committed Apr 30, 2024
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4 changes: 2 additions & 2 deletions README.md
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MACE provides fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

This repository contains the MACE reference implementation developed by
Ilyes Batatia, Gregor Simm, and David Kovacs.
Ilyes Batatia, Gregor Simm, David Kovacs, and the group of Gabor Csanyi, and friends (see Contributors).

Also available:

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--seed=123 \
```

To see all options and a little description of them run `python ./mace/scripts/preprocess_data.py --help` . The script will create a number of HDF5 files in the `processed_data` folder which can be used for training. There wiull be one file for trainin, one for validation and a separate one for each `config_type` in the test set. To train the model use the `run_train.py` script as follows:
To see all options and a little description of them run `python ./mace/scripts/preprocess_data.py --help` . The script will create a number of HDF5 files in the `processed_data` folder which can be used for training. There will be one folder for training, one for validation and a separate one for each `config_type` in the test set. To train the model use the `run_train.py` script as follows:

```sh
python ./mace/scripts/run_train.py \
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2 changes: 1 addition & 1 deletion mace/cli/run_train.py
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model = model.to("cpu")
torch.save(model, model_path)
extra_files = {
"commit.txt": commit.encode("utf-8"),
"commit.txt": commit.encode("utf-8") if commit is not None else b"",
"config.yaml": json.dumps(
convert_to_json_format(extract_config_mace_model(model))
),
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