| # | |
| #SBATCH --job-name=esm.msa | |
| # Default in slurm | |
| #SBATCH [email protected] | |
| #SBATCH --mail-type=ALL | |
| #SBATCH -t 72:0:0 # Request 5 hours run time | |
| # Define threads and memeory | |
| #SBATCH --ntasks=1 | |
| #SBATCH --nodes=1 | |
| #SBATCH --cpus-per-task=5 | |
| #SBATCH --mem=10gb | |
| # Define Output Log | |
| #SBATCH --output=esm2.log | |
| date;hostname;pwd | |
| PROTEIN=$1 | |
| DATASET=$2 | |
| PLMC_DIR="$HOME" | |
| mkdir -p inference/$DATASET/plmc | |
| #$PLMC_DIR/plmc/bin/plmc \ | |
| /share/descartes/Users/gz2294/miniconda3/envs/protein_fitness_prediction/bin/plmc \ | |
| -o inference/$DATASET/plmc/uniref100.model_params \ | |
| -c inference/$DATASET/plmc/uniref100.EC \ | |
| -f $PROTEIN \ | |
| -le 16.2 -lh 0.01 -m 200 -t 0.2 \ | |
| -g msa/$PROTEIN.a2m | |