Alphafold

Alphafold

AlphaFold is an artificial intelligence (AI) program developed by Alphabets's/Google's DeepMind which performs predictions of protein structure.

How to use

Sample script for qsub works with gpu queue

#!/bin/bash
#PBS -l select=1:ncpus=4:ngpus=1
#PBS -q gpu
conda activate module load miniconda/miniconda3-4.7.12-environmentally
/powerapps/share/centos7/miniconda/miniconda3-4.7.12-environmentally/envs/alphafold_non_docker
bash /home/alphafold_folder/alphafold_multimer_non_docker/run_alphafold.sh -d /tzachi_storage/evgenyf/alphafold/alphafold_data -
o /home/alphafold_folder/alphafold_multimer_non_docker/dummy_test/ -f /home/alphafold_folder/alphafold_multimer_non_docker/examp
le/query.fasta  -t 2020-05-14

Alphafold - nondocker source