#!/bin/bash
#SBATCH -J dcoid_rf2
#SBATCH -p batch
#SBATCH -A STF006
#SBATCH -t 1:00:00
#SBATCH -N 8
#SBATCH --ntasks-per-node=32

srun python dcoid_rf2.py data/dcoid_rf2_actives.parquet "/gpfs/alpine/world-shared/bip214/binding_affinity/dcoid/actives/*pdb"
srun python dcoid_rf2.py data/dcoid_rf2_decoys.parquet "/gpfs/alpine/world-shared/bip214/binding_affinity/dcoid/decoys/*pdb"