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#!/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 \
--out out/design \
--contigs 110 \
--T 25 --save_best_plddt \
--dssp_pdb ./pdbs/cd86.pdb
# FOR SECONDARY STRUCTURE:
# X - mask
# H - helix
# E - strand
# L - loop
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