DeepChem Running

index_list=(0 1 2 3 4)
task_list=(mu alpha homo lumo gap r2 zpve cv u0 u298 h298 g298)



for index in "${index_list[@]}"; do
    for task in "${task_list[@]}"; do
        mkdir -p ../output/"$index"/gcnn

        LD_LIBRARY_PATH="${HOME}/my_libc_env/lib/x86_64-linux-gnu/:${HOME}/my_libc_env/usr/lib64/" ${HOME}/my_libc_env/lib/x86_64-linux-gnu/ld-2.17.so `which python` \
        model_gcnn.py \
        --task="$task" \
        --index="$index" \
        > ../output/"$index"/gcnn/"$task".out
    done
done

dataset_name=qm9
for index in "${index_list[@]}"; do
      mkdir -p ../output/"$index"/gcnn

      LD_LIBRARY_PATH="${HOME}/my_libc_env/lib/x86_64-linux-gnu/:${HOME}/my_libc_env/usr/lib64/" ${HOME}/my_libc_env/lib/x86_64-linux-gnu/ld-2.17.so `which python` \
      model_gcnn_dataset.py \
      --dataset_name="$dataset_name" \
      --index="$index" \
      > ../output/"$index"/gcnn/"$dataset_name".out
done