#SBATCH -n 20
#SBATCH --mem-per-cpu=8000
#SBATCH -t 00-12
#SBATCH -J training
#SBATCH -o slurm.out -e slurm.err

exe_bin=/cluster/work/reiher/q4bio/neq_env/bin/
config_file=/home/moritz/programs/pipeline/ml/slurm/../../qm-mm/input_files/single_points/grp78-nkp1339_protein.yml
output_directory=/cluster/work/reiher/q4bio/data/grp78-nkp1339_protein
$exe_bin automated_active_learning -c $config_file --no-append_to_data -o output_directory