diff --git a/downloads-generation/data_mass_spec_benchmark/GENERATE.WITH_HPC_CLUSTER.sh b/downloads-generation/data_mass_spec_benchmark/GENERATE.WITH_HPC_CLUSTER.sh index 1c5c098eb5c7c83f2f3793a42b91337fdee82e7c..7be4347050fe1cbfb77c4b6286bcec6b5d9740f8 100755 --- a/downloads-generation/data_mass_spec_benchmark/GENERATE.WITH_HPC_CLUSTER.sh +++ b/downloads-generation/data_mass_spec_benchmark/GENERATE.WITH_HPC_CLUSTER.sh @@ -42,23 +42,36 @@ python write_proteome_peptides.py \ --chromosome 1 \ --out proteome_peptides.chr1.csv -for kind in with_mass_spec no_mass_spec -do - python run_mhcflurry.py \ - proteome_peptides.chr1.csv \ - --chunk-size 100000 \ - --batch-size 65536 \ - --models-dir "$(mhcflurry-downloads path models_class1_pan)/models.$kind" \ - --allele $(cat alleles.txt) \ - --out "predictions/chr1.mhcflurry.$kind" \ - --verbosity 1 \ - --worker-log-dir "$SCRATCH_DIR/$DOWNLOAD_NAME" \ - --cluster-parallelism \ - --cluster-max-retries 15 \ - --cluster-submit-command bsub \ - --cluster-results-workdir ~/mhcflurry-scratch \ - --cluster-script-prefix-path $SCRIPT_DIR/cluster_submit_script_header.mssm_hpc.lsf -done +#for kind in with_mass_spec no_mass_spec +#do +# python run_mhcflurry.py \ +# proteome_peptides.chr1.csv \ +# --chunk-size 100000 \ +# --batch-size 65536 \ +# --models-dir "$(mhcflurry-downloads path models_class1_pan)/models.$kind" \ +# --allele $(cat alleles.txt) \ +# --out "predictions/chr1.mhcflurry.$kind" \ +# --verbosity 1 \ +# --worker-log-dir "$SCRATCH_DIR/$DOWNLOAD_NAME" \ +# --cluster-parallelism \ +# --cluster-max-retries 15 \ +# --cluster-submit-command bsub \ +# --cluster-results-workdir ~/mhcflurry-scratch \ +# --cluster-script-prefix-path $SCRIPT_DIR/cluster_submit_script_header.mssm_hpc.lsf +#done + +python run_thirdparty_predictors.py \ + proteome_peptides.chr1.csv \ + --predictor netmhcpan4 \ + --chunk-size 100000 \ + --allele $(cat alleles.txt) \ + --out "predictions/chr1.netmhcpan4" \ + --worker-log-dir "$SCRATCH_DIR/$DOWNLOAD_NAME" \ + --cluster-parallelism \ + --cluster-max-retries 15 \ + --cluster-submit-command bsub \ + --cluster-results-workdir ~/mhcflurry-scratch \ + --cluster-script-prefix-path $SCRIPT_DIR/cluster_submit_script_header.mssm_hpc.lsf # Now all peptides python write_proteome_peptides.py \ @@ -66,23 +79,38 @@ python write_proteome_peptides.py \ "${REFERENCES_DIR}/uniprot_proteins.csv.bz2" \ --out proteome_peptides.all.csv -for kind in with_mass_spec no_mass_spec -do - python run_mhcflurry.py \ - proteome_peptides.all.csv \ - --chunk-size 500000 \ - --batch-size 65536 \ - --models-dir "$(mhcflurry-downloads path models_class1_pan)/models.$kind" \ - --allele $(cat alleles.txt) \ - --out "predictions/all.mhcflurry.$kind" \ - --verbosity 1 \ - --worker-log-dir "$SCRATCH_DIR/$DOWNLOAD_NAME" \ - --cluster-parallelism \ - --cluster-max-retries 15 \ - --cluster-submit-command bsub \ - --cluster-results-workdir ~/mhcflurry-scratch \ - --cluster-script-prefix-path $SCRIPT_DIR/cluster_submit_script_header.mssm_hpc.lsf -done +#for kind in with_mass_spec no_mass_spec +#do +# python run_mhcflurry.py \ +# proteome_peptides.all.csv \ +# --chunk-size 500000 \ +# --batch-size 65536 \ +# --models-dir "$(mhcflurry-downloads path models_class1_pan)/models.$kind" \ +# --allele $(cat alleles.txt) \ +# --out "predictions/all.mhcflurry.$kind" \ +# --verbosity 1 \ +# --worker-log-dir "$SCRATCH_DIR/$DOWNLOAD_NAME" \ +# --cluster-parallelism \ +# --cluster-max-retries 15 \ +# --cluster-submit-command bsub \ +# --cluster-results-workdir ~/mhcflurry-scratch \ +# --cluster-script-prefix-path $SCRIPT_DIR/cluster_submit_script_header.mssm_hpc.lsf +#done + +python run_thirdparty_predictors.py \ + proteome_peptides.all.csv \ + --predictor netmhcpan4 \ + --chunk-size 100000 \ + --allele $(cat alleles.txt) \ + --out "predictions/all.netmhcpan4" \ + --worker-log-dir "$SCRATCH_DIR/$DOWNLOAD_NAME" \ + --cluster-parallelism \ + --cluster-max-retries 15 \ + --cluster-submit-command bsub \ + --cluster-results-workdir ~/mhcflurry-scratch \ + --cluster-script-prefix-path $SCRIPT_DIR/cluster_submit_script_header.mssm_hpc.lsf + + bzip2 proteome_peptides.chr1.csv