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binding_affinity / biolip.slurm

jglaser's picture

update to most recent DBs, add split without KRAS

558c2c3 almost 3 years ago

187 Bytes

	#!/bin/bash
	#SBATCH -J preprocess_biolip
	#SBATCH -p batch
	#SBATCH -A BIP214
	#SBATCH -t 3:00:00
	#SBATCH -N 11
	#SBATCH --ntasks-per-node=32

	export PYTHONUNBUFFERED=1
	srun python biolip.py