diff --git a/downloads-generation/models_class1_no_mass_spec/GENERATE.sh b/downloads-generation/models_class1_no_mass_spec/GENERATE.sh index 3b80f704deb4975a543d030a437e92bb3afd0265..00a6233bce3568cfc8e9c224f136c2ab5536f76d 100755 --- a/downloads-generation/models_class1_no_mass_spec/GENERATE.sh +++ b/downloads-generation/models_class1_no_mass_spec/GENERATE.sh @@ -36,7 +36,9 @@ time mhcflurry-class1-train-allele-specific-models \ --hyperparameters hyperparameters.yaml \ --out-models-dir models \ --percent-rank-calibration-num-peptides-per-length 1000000 \ - --min-measurements-per-allele 75 + --min-measurements-per-allele 75 \ + --ignore-inequalities + cp $SCRIPT_ABSOLUTE_PATH . bzip2 LOG.txt diff --git a/mhcflurry/train_allele_specific_models_command.py b/mhcflurry/train_allele_specific_models_command.py index b095e6a45ffdf64bacba6e3125a6a521d5493bb6..8d63b4f3e50ac1a11235c63b4c2401eeda9c1e7d 100644 --- a/mhcflurry/train_allele_specific_models_command.py +++ b/mhcflurry/train_allele_specific_models_command.py @@ -52,6 +52,11 @@ parser.add_argument( action="store_true", default=False, help="Use only quantitative training data") +parser.add_argument( + "--ignore-inequalities", + action="store_true", + default=False, + help="Do not use affinity value inequalities even when present in data") parser.add_argument( "--percent-rank-calibration-num-peptides-per-length", type=int, @@ -115,6 +120,10 @@ def run(argv=sys.argv[1:]): ] print("Subselected to quantitative: %s" % (str(df.shape))) + if args.ignore_inequalities and "measurement_inequality" in df.columns: + print("Dropping measurement_inequality column") + del df["measurement_inequality"] + allele_counts = df.allele.value_counts() if args.allele: @@ -263,6 +272,9 @@ def process_work( allele=allele, peptides=train_data.peptide.values, affinities=train_data.measurement_value.values, + inequalities=( + train_data.measurement_inequality.values + if "measurement_inequality" in train_data.columns else None), models_dir_for_save=save_to, progress_preamble=progress_preamble, verbose=verbose)