| BASE=$(dirname $0) | |
| python $BASE/screening.py \ | |
| -i $BASE/demo/screening/6kzd.pkl.gz \ | |
| -f $BASE/demo/screening/features \ | |
| -s $BASE/demo/screening/demo_db.txt \ | |
| --max_samples 40 \ | |
| --max_rounds 5 \ | |
| --num_samples_per_round 20 \ | |
| --crop_size 256 \ | |
| --atom_crop_size 2048 \ | |
| --use_pocket \ | |
| --use_key_res \ | |
| --enable_ranking | |