diff --git a/downloads-generation/models_class1_with_mass_spec/GENERATE.sh b/downloads-generation/models_class1_with_mass_spec/GENERATE.sh new file mode 100755 index 0000000000000000000000000000000000000000..066cd113ef981c6d17f43794ad15c9e9ba0875dc --- /dev/null +++ b/downloads-generation/models_class1_with_mass_spec/GENERATE.sh @@ -0,0 +1,69 @@ +#!/bin/bash +# +# Model select MHCflurry Class I models that were trained on mass-spec. Model +# selection uses both mass-spec and affinity data. +# +set -e +set -x + +DOWNLOAD_NAME=models_class1_with_mass_spec +SCRATCH_DIR=${TMPDIR-/tmp}/mhcflurry-downloads-generation +SCRIPT_ABSOLUTE_PATH="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)/$(basename "${BASH_SOURCE[0]}")" +SCRIPT_DIR=$(dirname "$SCRIPT_ABSOLUTE_PATH") + +mkdir -p "$SCRATCH_DIR" +rm -rf "$SCRATCH_DIR/$DOWNLOAD_NAME" +mkdir "$SCRATCH_DIR/$DOWNLOAD_NAME" + +# Send stdout and stderr to a logfile included with the archive. +exec > >(tee -ia "$SCRATCH_DIR/$DOWNLOAD_NAME/LOG.txt") +exec 2> >(tee -ia "$SCRATCH_DIR/$DOWNLOAD_NAME/LOG.txt" >&2) + +# Log some environment info +date +pip freeze +git status + +cd $SCRATCH_DIR/$DOWNLOAD_NAME +cp $SCRIPT_DIR/write_validation_data.py . + +mkdir models + +GPUS=$(nvidia-smi -L 2> /dev/null | wc -l) || GPUS=0 +echo "Detected GPUS: $GPUS" + +PROCESSORS=$(getconf _NPROCESSORS_ONLN) +echo "Detected processors: $PROCESSORS" + +python ./write_validation_data.py \ + --include "$(mhcflurry-downloads path data_curated)/curated_training_data.with_mass_spec.csv.bz2" \ + --exclude "$(mhcflurry-downloads path models_class1_unselected_with_mass_spec)/models/train_data.csv.bz2" \ + --only-alleles-present-in-exclude \ + --out-data test.csv \ + --out-summary test.summary.csv + +wc -l test.csv + +time mhcflurry-class1-select-allele-specific-models \ + --data test.csv \ + --models-dir "$(mhcflurry-downloads path models_class1_unselected)/models" \ + --out-models-dir models \ + --scoring combined:mass-spec,mse,consensus \ + --consensus-num-peptides-per-length 10000 \ + --combined-min-models 8 \ + --combined-max-models 16 \ + --unselected-accuracy-scorer combined:mass-spec,mse \ + --unselected-accuracy-percentile-threshold 95 \ + --mass-spec-min-measurements 500 \ + --num-jobs $(expr $PROCESSORS \* 2) --gpus $GPUS --max-workers-per-gpu 2 --max-tasks-per-worker 1 + +time mhcflurry-calibrate-percentile-ranks \ + --models-dir models \ + --num-peptides-per-length 100000 \ + --num-jobs $(expr $PROCESSORS \* 2) --gpus $GPUS --max-workers-per-gpu 2 --max-tasks-per-worker 50 + +cp $SCRIPT_ABSOLUTE_PATH . +bzip2 LOG.txt +tar -cjf "../${DOWNLOAD_NAME}.tar.bz2" * + +echo "Created archive: $SCRATCH_DIR/$DOWNLOAD_NAME.tar.bz2"