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Flexible and fast antibody sequence annotation in Rust with python bindings

Project description

immunum

High-performance antibody and TCR sequence numbering in Rust, Python, and WebAssembly.

Crates.io PyPI npm License: MIT CI Docs

Overview

immunum is a library for numbering antibody and T-cell receptor (TCR) variable domain sequences. It uses Needleman-Wunsch semi-global alignment against position-specific scoring matrices built from consensus sequences, with BLOSUM62-based substitution scores.

Available as:

  • Rust crate — core library and CLI
  • Python package — via PyPI (pip install immunum), with a Polars plugin for vectorized batch processing
  • npm package — for Node.js and browsers

Supported chains

Antibody TCR
IGH (heavy) TRA (alpha)
IGK (kappa) TRB (beta)
IGL (lambda) TRD (delta)
TRG (gamma)

Numbering schemes

  • IMGT — all 7 chain types
  • Kabat — antibody chains (IGH, IGK, IGL)

Chain type is automatically detected by aligning against all loaded chains and selecting the best match.

Table of Contents

Python

Installation

pip install immunum

Numbering

from immunum import Annotator

annotator = Annotator(chains=["H", "K", "L"], scheme="imgt")

sequence = "QVQLVQSGAEVKRPGSSVTVSCKASGGSFSTYALSWVRQAPGRGLEWMGGVIPLLTITNYAPRFQGRITITADRSTSTAYLELNSLRPEDTAVYYCAREGTTGKPIGAFAHWGQGTLVTVSS"

result = annotator.number(sequence)
print(result.chain)       # H
print(result.confidence)  # 0.78
print(result.numbering)   # {"1": "Q", "2": "V", "3": "Q", ...}

Segmentation

segment splits the sequence into FR/CDR regions:

from immunum import Annotator

annotator = Annotator(chains=["H", "K", "L"], scheme="imgt")

sequence = "QVQLVQSGAEVKRPGSSVTVSCKASGGSFSTYALSWVRQAPGRGLEWMGGVIPLLTITNYAPRFQGRITITADRSTSTAYLELNSLRPEDTAVYYCAREGTTGKPIGAFAHWGQGTLVTVSS"

result = annotator.segment(sequence)
assert result.fr1 == 'QVQLVQSGAEVKRPGSSVTVSCKAS'
assert result.cdr1 == 'GGSFSTYA'
assert result.fr2 == 'LSWVRQAPGRGLEWMGG'
assert result.cdr2 == 'VIPLLTIT'
assert result.fr3 == 'NYAPRFQGRITITADRSTSTAYLELNSLRPEDTAVYYC'
assert result.cdr3 == 'AREGTTGKPIGAFAH'
assert result.fr4 == 'WGQGTLVTVSS'

Chains: "H" (heavy), "K" (kappa), "L" (lambda), "A" (TRA), "B" (TRB), "G" (TRG), "D" (TRD).

Polars plugin

For batch processing, immunum.polars registers elementwise Polars expressions:

import polars as pl
import immunum.polars as imp

df = pl.DataFrame({"sequence": [
    "QVQLVQSGAEVKRPGSSVTVSCKASGGSFSTYALSWVRQAPGRGLEWMGGVIPLLTITNYAPRFQGRITITADRSTSTAYLELNSLRPEDTAVYYCAREGTTGKPIGAFAHWGQGTLVTVSS",
    "DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIK",
]})

# Add a struct column with chain, scheme, confidence, numbering
result = df.with_columns(
    imp.number(pl.col("sequence"), chains=["H", "K", "L"], scheme="imgt").alias("numbered")
)

# Add a struct column with FR/CDR segments
result = df.with_columns(
    imp.segment(pl.col("sequence"), chains=["H", "K", "L"], scheme="imgt").alias("segmented")
)

The number expression returns a struct with fields chain, scheme, confidence, and numbering (a struct of position→residue). The segment expression returns a struct with fields fr1, cdr1, fr2, cdr2, fr3, cdr3, fr4, prefix, postfix.

JavaScript / npm

Installation

npm install immunum

Usage

import init, { Annotator } from "immunum";

await init(); // load the wasm module

const annotator = new Annotator(["H", "K", "L"], "imgt");

const sequence =
  "QVQLVQSGAEVKRPGSSVTVSCKASGGSFSTYALSWVRQAPGRGLEWMGGVIPLLTITNYAPRFQGRITITADRSTSTAYLELNSLRPEDTAVYYCAREGTTGKPIGAFAHWGQGTLVTVSS";

const result = annotator.number(sequence);
console.log(result.chain); // "H"
console.log(result.confidence); // 0.97
console.log(result.numbering); // { "1": "E", "2": "V", ... }

const segments = annotator.segment(sequence);
console.log(segments.cdr3);

annotator.free(); // or use `using annotator = new Annotator(...)` with explicit resource management

Rust

Usage

use immunum::{Annotator, Chain, Scheme};

let annotator = Annotator::new(
    &[Chain::IGH, Chain::IGK, Chain::IGL],
    Scheme::IMGT,
    None, // uses default min_confidence of 0.5
).unwrap();

let sequence = "QVQLVQSGAEVKRPGSSVTVSCKASGGSFSTYALSWVRQAPGRGLEWMGGVIPLLTITNYAPRFQGRITITADRSTSTAYLELNSLRPEDTAVYYCAREGTTGKPIGAFAHWGQGTLVTVSS";

let result = annotator.number(sequence).unwrap();

println!("Chain: {}", result.chain);        // IGH
println!("Confidence: {:.2}", result.confidence);

for (aa, pos) in sequence.chars().zip(result.positions.iter()) {
    println!("{} -> {}", aa, pos);
}

Add to Cargo.toml:

[dependencies]
immunum = "0.9"

CLI

immunum number [OPTIONS] [INPUT] [OUTPUT]

Options

Flag Description Default
-s, --scheme Numbering scheme: imgt (i), kabat (k) imgt
-c, --chain Chain filter: h,k,l,a,b,g,d or groups: ig, tcr, all. Accepts any form (h, heavy, igh), case-insensitive. ig
-f, --format Output format: tsv, json, jsonl tsv

Input

Accepts a raw sequence, a FASTA file, or stdin (auto-detected):

immunum number EVQLVESGGGLVKPGGSLKLSCAASGFTFSSYAMS
immunum number sequences.fasta
cat sequences.fasta | immunum number
immunum number - < sequences.fasta

Output

Writes to stdout by default, or to a file if a second positional argument is given:

immunum number sequences.fasta results.tsv
immunum number -f json sequences.fasta results.json

Examples

# Kabat scheme, JSON output
immunum number -s kabat -f json EVQLVESGGGLVKPGGSLKLSCAASGFTFSSYAMS

# All chains (antibody + TCR), JSONL output
immunum number -c all -f jsonl sequences.fasta

# TCR sequences only, save to file
immunum number -c tcr tcr_sequences.fasta output.tsv

# Extract sequences from a TSV column and pipe in (see fixtures/ig.tsv)
tail -n +2 fixtures/ig.tsv | cut -f2 | immunum number
awk -F'\t' 'NR==1{for(i=1;i<=NF;i++) if($i=="sequence") c=i} NR>1{print $c}' fixtures/ig.tsv | immunum number

# Filter TSV output to CDR3 positions (111-128 in IMGT)
immunum number sequences.fasta | awk -F'\t' '$4 >= 111 && $4 <= 128'

# Filter to heavy chain results only
immunum number -c all sequences.fasta | awk -F'\t' 'NR==1 || $2=="H"'

# Extract CDR3 sequences with jq
immunum number -f json sequences.fasta | jq '[.[] | {id: .sequence_id, numbering}]'

Development

To orchestrate a project between cargo and python, we use task. You can install it with:

uv tool install go-task-bin

And then run task or task --list-all to get the full list of available tasks.

By default, dev profile will be used in all but benchmark-* tasks, but you can change it via providing PROFILE=release to your task.

Also, by default, task caches results, but you can ignore it by running task my-task -f.

Building local environment

# build a dev environment
task build-local

# build a dev environment with --release flag
task build-local PROFILE=release

Testing

task test-rust    # test only rust code
task test-python  # test only python code
task test         # test all code

Linting

task format  # formats python and rust code
task lint    # runs linting for python and rust

Benchmarking

There are multiple benchmarks in the repository. For full list, see task | grep benchmark:

$ task | grep benchmark
* benchmark-accuracy:           Accuracy benchmark across all fixtures (1k sequences, 7 rounds each)
* benchmark-cli:                Benchmark correctness of the CLI tool
* benchmark-comparison:         Speed + correctness benchmark: immunum vs antpack vs anarci (1k IGH sequences)
* benchmark-scaling:            Scaling benchmark: sizes 100..10M (10x steps), 1 round, H/imgt. Pass CLI_ARGS to filter tools, e.g. -- --tools immunum
* benchmark-speed:              Speed benchmark across dataset sizes (100 to 1M sequences, 7 rounds, H/imgt)
* benchmark-speed-polars:       Speed benchmark for immunum polars across all chain/scheme fixtures

Project structure

src/
├── main.rs          # CLI binary (immunum number ...)
├── lib.rs           # Public API
├── annotator.rs     # Sequence annotation and chain detection
├── alignment.rs     # Needleman-Wunsch semi-global alignment
├── io.rs            # Input parsing (FASTA, raw) and output formatting (TSV, JSON, JSONL)
├── numbering.rs     # Numbering module entry point
├── numbering/
│   ├── imgt.rs      # IMGT numbering rules
│   └── kabat.rs     # Kabat numbering rules
├── scoring.rs       # PSSM and scoring matrices
├── types.rs         # Core domain types (Chain, Scheme, Position)
├── validation.rs    # Validation utilities
├── error.rs         # Error types
└── bin/
    ├── benchmark.rs       # Validation metrics report
    ├── debug_validation.rs # Alignment mismatch visualization
    └── speed_benchmark.rs  # Performance benchmarks
resources/
└── consensus/       # Consensus sequence CSVs (compiled into scoring matrices)
fixtures/
├── validation/      # ANARCI-numbered reference datasets
├── ig.fasta         # Example antibody sequences
└── ig.tsv           # Example TSV input
scripts/             # Python tooling for generating consensus data
immunum/
├── _internal.pyi    # python stub file for pyo3
├── polars.py        # polars extension module
└── python.py        # python module

Design decisions

  • Semi-global alignment forces full query consumption, preventing long CDR3 regions from being treated as trailing gaps.
  • Anchor positions at highly conserved FR residues receive 3× gap penalties to stabilize alignment.
  • FR regions use alignment-based numbering; CDR regions use scheme-specific insertion rules.
  • Scoring matrices are generated at compile time from consensus data via build.rs.

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