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Datasets:
jglaser
/
protein_ligand_contacts
like
5
Modalities:
Tabular
Text
Size:
1M<n<10M
Tags:
molecules
chemistry
SMILES
Croissant
Libraries:
Datasets
mlcroissant
Dataset card
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Files
Files and versions
Community
9ec86e1
protein_ligand_contacts
/
pdbbind.slurm
jglaser
fix import
9ec86e1
over 2 years ago
raw
history
blame
No virus
239 Bytes
#!/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 5
srun python pdbbind.py 8
srun python pdbbind.py 11
srun python pdbbind.py 15