23 lines
618 B
Bash
23 lines
618 B
Bash
#!/bin/bash
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#------- Job Description -------
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#SBATCH --job-name='fingerprint creation'
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#SBATCH --comment='fingerprint for tanimoto comparison'
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#------- Parametrization -------
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#SBATCH --requeue
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#SBATCH --nodes=1
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#SBATCH --tasks-per-node=1
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#SBATCH --cpus-per-task=1
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#SBATCH --partition=bqhn01
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#SBATCH --time=10-0:0:0
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#------- Input/Output -------
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#SBATCH --output="/home/roberto_olayo/mole_antimicrobial_potential/workflow/logdir/out/%x-%j.out"
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#SBATCH --error="/home/roberto_olayo/mole_antimicrobial_potential/workflow/logdir/out/%x-%j.err"
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#------- Command -------
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python 07.pubchem_exploration_fingerprints.py |