Cancer3.AIAI in OncologyAI Models › MHCflurry 2.0
Task-specific model Open weights Research use only immunopeptidomics

MHCflurry 2.0 2.0

Open-source pan-allele presentation predictor whose distinctive idea is a separate antigen-processing model: it reads the peptide together with fifteen amino acids of flanking sequence on each side, because the proteasome cut depends on what lies around the cut site.

At a glance

DeveloperO'Donnell, Rubinsteyn and Laserson (Mount Sinai / OpenVax)
Version2.0
Released2020-07-08
Licenceapache-2.0
AvailabilityOpen weights
KindTask-specific model
Regulatory statusResearch use only

What it does

Predicts binding affinity and presentation; the final presentation score is a three-parameter logistic regression combining the binding network and the processing network. Installable with pip, which makes it the practical choice for reproducible pipelines.

Notable uses in oncology

The processing model recovers known biology: proline is depleted just before the peptide and enriched at position 2, matching the action of ERAP trimming. The measured gain from adding processing is real but modest — 3.3% on average.

Tasks, data types and cancers

CancerPan-cancer
Inputpeptide encoded three times — left-aligned, centred, right-aligned — concatenated into 45 fixed positions, plus a 37-residue allele pseudosequence (34 contact residues + 3 to separate otherwise identical alleles); processing model additionally takes 15 aa of N- and C-terminal flanks
Outputaffinity (nM), presentation score, %Rank

Architecture

Familyensemble of feed-forward networks + antigen-processing network
Backbonebinding predictor (pan-allele) + processing predictor over flanking sequence; combined by logistic regression

Where NetMHCpan searches for the right alignment, MHCflurry hands the network all three alignments at once and lets it decide. Multi-allelic data are handled by taking the best score among the alleles the sample carries, rather than by training-time deconvolution.

Training data

IEDB binding affinities plus MS-eluted ligands from mono- and multi-allelic samples; negatives are decoys drawn from the same source proteins as the hits.

Institutionspublic IEDB and published immunopeptidomics datasets

Linked datasets

Evaluation

Benchmark / datasetMetricValueExternal validationSource
held-out mass-spec ligands (1:99 decoys from the same proteins) PPV reported in paper; not comparable with PPV numbers computed at 1:999 by other tools yes Source
effect of the antigen-processing model relative improvement +3.3% on average no Source

How to run

pip install mhcflurry
mhcflurry-downloads fetch models_class1_presentation

from mhcflurry import Class1PresentationPredictor
predictor = Class1PresentationPredictor.load()
predictor.predict(
    peptides=['SIINFEKL', 'KLGGALQAK'],
    alleles={'sample1': ['HLA-A*02:01', 'HLA-B*57:01']},
    # n_flanks/c_flanks add the antigen-processing signal when you have the source protein
)
LibraryPython (pip install mhcflurry)
HardwareCPU is fine; TensorFlow backend

The presentation predictor needs the downloaded model bundle (mhcflurry-downloads fetch). Supplying flanking sequences is what activates the processing model — without them you are running the binding network only.

Regulatory status and intended use

Regulatory statusResearch use only
Intended useResearch software.

Source →

Regulatory status is quoted from the source linked above and can change. Research-use-only models must not be used for clinical decisions.

Limitations and bias

  • Same assumed-negative problem and MS biases as every model in this family.
  • Decoys drawn from the same proteins make its PPV numbers stricter than some competitors' and not directly comparable.
  • One published benchmark had to exclude it because of train/test overlap — check your evaluation split.

Sources

  1. O'Donnell TJ, Rubinsteyn A, Laserson U. MHCflurry 2.0. Cell Systems 2020
  2. GitHub — openvax/mhcflurry
  3. cancer3.ai — Trzydzieści cztery litery zamka

This page is educational — it is not medical advice and does not replace consultation with an oncologist. Diagnostic and treatment decisions are made solely by specialist physicians.