#!/bin/bash
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