Difference between revisions of "Alphafold"
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Sample script for qsub | Sample script for qsub | ||
works with gpu queue | works with gpu queue | ||
| + | |||
| + | <pre> | ||
| + | #!/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 | ||
| + | </pre> | ||
| + | |||
| + | |||
| + | <ref>https://github.com/amorehead/alphafold_non_docker</ref> | ||
Revision as of 15:00, 22 February 2022
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
<ref>https://github.com/amorehead/alphafold_non_docker</ref>