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Datasets:
jglaser
/
pdbbind_complexes
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10K - 100K
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molecules
chemistry
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19e4502
pdbbind_complexes
/
pdbbind.slurm
jglaser
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19e4502
almost 3 years ago
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#!/bin/bash
#SBATCH -J preprocess_pdbbind
#SBATCH -p gpu
#SBATCH -A STF006
#SBATCH -t 3:00:00
#SBATCH -N 2
#SBATCH --ntasks-per-node=16
srun python pdbbind.py