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Datasets:
jglaser
/
binding_affinity
like
14
Modalities:
Tabular
Text
Size:
1M - 10M
Tags:
molecules
chemistry
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Datasets
Croissant
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2
d802ce7
binding_affinity
/
biolip.slurm
jglaser
add slurm scripts
347e64c
over 3 years ago
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188 Bytes
#!/bin/bash
#SBATCH -J preprocess_pdbbind
#SBATCH -p batch
#SBATCH -A BIP214
#SBATCH -t 3:00:00
#SBATCH -N 16
#SBATCH --ntasks-per-node=32
export
PYTHONUNBUFFERED=1
srun python biolip.py