LIgO

LIgO is a tool for simulation of adaptive immune receptors and repertoires, internally powered by immuneML. The README includes quick installation instructions and information on how to run a quickstart. For more detailed documentation, see https://uio-bmi.github.io/ligo/.

Installation

Requirements: Python 3.11 or later.

To install from PyPI (recommended), run the following command in your virtual environment:

pip install ligo

To install LIgO from the repository, run the following:

pip install git+https://github.com/uio-bmi/ligo.git

To be able to use Stitcher to export full-length sequences, download the database after installing LIgO:

stitchrdl -s human

Usage

To run LIgO simulation, it is necessary to define the YAML file describing the simulation. Here is an example YAML specification, that will create 300 T-cell receptors. The first 100 receptors will contain signal1 (which means all of these 100 receptors will have TRBV7 gene and AS somewhere in the receptor sequence), the next 100 receptors will contain signal2 (sequences will contain G/G with the gap denoted by '' sign and the gap size between 1 and 2 inclusive), and the final 100 receptors will not contain any of these signals.

  definitions:
    motifs:
      motif1:
        seed: AS
      motif2:
        seed: G/G
        max_gap: 2
        min_gap: 1
    signals:
      signal1:
        v_call: TRBV7
        motifs:
          - motif1
      signal2:
        motifs:
          - motif2
    simulations:
      sim1:
        is_repertoire: false
        paired: false
        sequence_type: amino_acid
        simulation_strategy: RejectionSampling
        remove_seqs_with_signals: true 
        sim_items:
          sim_item1: # group of AIRs with the same parameters
            generative_model:
              chain: beta
              default_model_name: humanTRB
              model_path: null
              type: OLGA
            number_of_examples: 100
            signals:
              signal1: 1
          sim_item2:
            generative_model:
              chain: beta
              default_model_name: humanTRB
              model_path: null
              type: OLGA
            number_of_examples: 100
            signals:
              signal2: 1
          sim_item3:
            generative_model:
              chain: beta
              default_model_name: humanTRB
              model_path: null
              type: OLGA
            number_of_examples: 100
            signals: {} # no signal
  instructions:
    my_sim_inst:
      export_p_gens: false
      max_iterations: 100
      number_of_processes: 4
      sequence_batch_size: 1000
      simulation: sim1
      type: LigoSim

To run this simulation, save the YAML file above as specs.yaml and run the following:

ligo specs.yaml output_folder

Note that output_folder (user-defined name) should not exist before the run.

Citing LIgO

If you are using LIgO in any published work, please cite:

Chernigovskaya, M.; Pavlović, M.; Kanduri, C.; Gielis, S.; Robert, P. A.; Scheffer, L.; Slabodkin, A.; Haff, I. H.; Meysman, P.; Yaari, G.; Sandve, G. K.; Greiff, V “Simulation of Adaptive Immune Receptors and Repertoires with Complex Immune Information to Guide the Development and Benchmarking of AIRR Machine Learning” bioRxiv, 2023, 2023.10.20.562936. https://doi.org/10.1101/2023.10.20.562936.