| #!/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' |
|
|
