Spaces:
Build error
Build error
File size: 405 Bytes
c145e8a |
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 |
#!/bin/bash
#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
|