| set -euo pipefail | |
| ROOT="$(cd "$(dirname "${BASH_SOURCE[0]}")/../.." && pwd)" | |
| cd "$ROOT" | |
| python model/mpnn_fr/dl_interface_design.py \ | |
| -pdbdir conf/examples/inputs/pdbs \ | |
| -runlist conf/examples/inputs/tags.list \ | |
| -relax_cycles 1 \ | |
| -seqs_per_struct 1 \ | |
| -outpdbdir output/example_proteinmpnn_runlist \ | |
| -checkpoint_name output/example_proteinmpnn_runlist.checkpoint | |