| #SBATCH -J seq_diff | |
| #SBATCH -p gpu | |
| #SBATCH --mem=8g | |
| #SBATCH --gres=gpu:a6000:1 | |
| #SBATCH -o ./out/slurm/slurm_%j.out | |
| source activate /software/conda/envs/SE3nv | |
| srun python ../inference.py \ | |
| --num_designs 10 \ | |
| --pdb pdbs/G12D_manual_mut.pdb \ | |
| --out out/ab_loop \ | |
| --contigs A2-176,0 C7-16,0 H2-95,12-15,H111-116,0 L1-45,10-12,L56-107 \ | |
| --T 25 --save_best_plddt --loop_design | |