o Remove unnecessary changes #26
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name: Source Bruteforce GraphDRP CSA workflow | |
on: [push] | |
jobs: | |
test: | |
runs-on: ubuntu-latest | |
steps: | |
- uses: actions/checkout@v4 | |
- name: Install and check | |
run: | | |
pip install -e . | |
export PYTHONPATH=$PYTHONPATH:. | |
cd tests | |
git clone https://github.com/JDACS4C-IMPROVE/GraphDRP.git | |
cd GraphDRP | |
conda env create -f conda_env.yml | |
eval "$(conda shell.bash hook)" # Ensure Conda is properly initialized | |
conda activate graphdrp | |
source setup_improve.sh | |
wget --cut-dirs=8 -P ./ -nH -np -m https://web.cels.anl.gov/projects/IMPROVE_FTP/candle/public/improve/benchmarks/single_drug_drp/benchmark-data-pilot1/csa_data/ || { echo 'Download failed'; exit 1; } | |
python graphdrp_preprocess_improve.py --input_dir ./csa_data/raw_data --output_dir exp_result | |
python graphdrp_train_improve.py --input_dir exp_result --output_dir exp_result | |
python graphdrp_infer_improve.py --input_data_dir exp_result --input_model_dir exp_result --output_dir exp_result --calc_infer_score true | |
ls -ltrh | |
cd .. | |
ls -ltrh | |
tree . | |
python csa_test.py |