#!/usr/bin/env bash
set -euo pipefail
ROOT="$(cd "$(dirname "$0")/../.." && pwd)"
cd "$ROOT/gfp"
python -u pcomole.py \
  --root_dir "$ROOT/gfp/FPredX" \
  --config "$ROOT/configs/config_gfp.yaml" \
  --ckpt "$ROOT/gfp/ckpt/last_2.ckpt" \
  --num_steps 10 \
  --num_candidates 50 \
  --num_rollouts 10 \
  --objective_weights 3 1 1 \
  --output_file "$ROOT/outputs/gfp_length_excitation_brightness.csv" \
  --input 'MSSGALLFHGKIPYVVEMEGNVDGHTFSIRGKGYGDASVGKVDAQFICTTGDVPVPWSTLVTTLTYGAQCFAKYGPELKDFYKSCMPDGYVQERTITFEGDGNFKTRAEVTFENGSVYNRVKLNGQGFKKDGHVLGKNLEFNFTPHCLYIWGDQANHGLKSAFKICHEITGSKGDFIVADHTQMNTPIGGGPVHVPEYHHMSYHVKLSKDVTDHRDNMSLKETVRAVDCRKTYDFDAGSGDTS'