From a448d365cfca161d835b5a1015a56791c6c7f8fd Mon Sep 17 00:00:00 2001 From: Ilyes Batatia <48651863+ilyes319@users.noreply.github.com> Date: Tue, 30 Apr 2024 19:43:03 +0100 Subject: [PATCH] fixed readme typos, and commit --- README.md | 4 ++-- mace/cli/run_train.py | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/README.md b/README.md index 2b2d0da7..9b3de7db 100644 --- a/README.md +++ b/README.md @@ -36,7 +36,7 @@ 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: @@ -215,7 +215,7 @@ python ./mace/scripts/preprocess_data.py \ --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 \ diff --git a/mace/cli/run_train.py b/mace/cli/run_train.py index d1957dea..e5e8f781 100644 --- a/mace/cli/run_train.py +++ b/mace/cli/run_train.py @@ -790,7 +790,7 @@ def main() -> None: 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)) ),