diff --git a/downloads-generation/data_mass_spec_benchmark/run_mhcflurry.py b/downloads-generation/data_mass_spec_benchmark/run_mhcflurry.py index 84fb4fe568fe39053dccb6f518fa715004666ad7..e2421d8259fa0cf5f6655e4ede46aa334fa7d076 100644 --- a/downloads-generation/data_mass_spec_benchmark/run_mhcflurry.py +++ b/downloads-generation/data_mass_spec_benchmark/run_mhcflurry.py @@ -7,6 +7,7 @@ import sys import time import traceback import collections +import math from functools import partial import numpy @@ -100,7 +101,8 @@ def run(argv=sys.argv[1:]): # using local parallelism. predictor = Class1AffinityPredictor.load( args.models_dir, - optimization_level=None if serial_run or args.cluster_parallelism else 0, + #optimization_level=None if serial_run or args.cluster_parallelism else 0, + optimization_level=0, ) alleles = [normalize_allele_name(a) for a in args.allele] @@ -133,7 +135,7 @@ def run(argv=sys.argv[1:]): }).to_csv(out_alleles, index=False) print("Wrote: ", out_alleles) - num_chunks = int(len(peptides) / args.chunk_size) + num_chunks = int(math.ceil(len(peptides) / args.chunk_size)) print("Split peptides into %d chunks" % num_chunks) peptide_chunks = numpy.array_split(peptides, num_chunks)