# CUDA_VISIBLE_DEVICES=3 python3 ./scripts/eval_configs.py \
#     --configs="datasets/3BPA/test_600K.xyz" \
#     --model="./checkpoints/mace_3BPA_run-123.model" \
#     --output="./3BPA_results.xyz" \
#     --batch_size=4 \
#     --device=cuda


CUDA_VISIBLE_DEVICES=4 python eval_mace.py  --exp_name mace_3BPA_2 --batch_size 8
CUDA_VISIBLE_DEVICES=4 python eval_mace.py  --exp_name mace_3BPA_3 --batch_size 8