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mol_fps/run_fp.sh

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#!/bin/sh
#SBATCH --ntasks=1
#SBATCH --nodes=1
#SBATCH --cpus-per-task=1
#SBATCH --array=0-7
jobid=$SLURM_ARRAY_TASK_ID
python run_get_hdf5.py --csv=./partitioned/chembl27-part$jobid.csv --ofn=chembl27_hdf5/chembl27$jobid