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30 lines
729 B
Bash
30 lines
729 B
Bash
#!/bin/bash
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#SBATCH -p gpu
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#SBATCH --mem=32g
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#SBATCH --gres=gpu:rtx2080:1
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#SBATCH -c 2
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#SBATCH --output=example_7.out
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source activate mlfold
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folder_with_pdbs="../inputs/PDB_monomers/pdbs/"
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output_dir="../outputs/example_7_outputs"
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if [ ! -d $output_dir ]
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then
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mkdir -p $output_dir
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fi
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path_for_parsed_chains=$output_dir"/parsed_pdbs.jsonl"
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python ../helper_scripts/parse_multiple_chains.py --input_path=$folder_with_pdbs --output_path=$path_for_parsed_chains
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python ../protein_mpnn_run.py \
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--jsonl_path $path_for_parsed_chains \
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--out_folder $output_dir \
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--num_seq_per_target 1 \
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--sampling_temp "0.1" \
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--unconditional_probs_only 1 \
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--seed 37 \
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--batch_size 1
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