#!/bin/bash
#
#SBATCH --job-name=esm.msa
# Default in slurm
#SBATCH --mail-user=gz2294@cumc.columbia.edu
#SBATCH --mail-type=ALL
#SBATCH -t 72:0:0 # Request 5 hours run time
# Define threads and memeory
#SBATCH --ntasks=1
#SBATCH --nodes=1
#SBATCH --cpus-per-task=20
#SBATCH --mem=100gb
# Define Output Log
#SBATCH --output=esm2.log
date;hostname;pwd
export OMP_NUM_THREADS=20

dataset=$1
seqsfile=$2
model=$3

THEANO_FLAGS='floatX=float32' /share/descartes/Users/gz2294/miniconda3/envs/protein_fitness_prediction/bin/python src/vae_inference.py \
    $model $seqsfile data/$dataset/wt.fasta \
    inference/${dataset}/vae/${model}