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epam: evaluating predictions of affinity maturation

Developer install

The environment can be set up with Mamba. Create the environment and install relevant packages as follows:

conda create -n epam python=3.11
conda activate epam
conda install datrie
make install

The netam package needs to be installed within the epam conda environment (though outside the epam file directory). Separately clone the repository (https://github.com/matsengrp/netam), checkout the relevant version of the repo git checkout 22c8873, and run make install.

Fetch data for the thrifty-models submodule:

git submodule init
git submodule update

The "Thrifty-SHM" model in Johnson et al. (2025) is thrifty-models/models/ThriftyHumV0.2-59.

To get the model files for "Thrifty-prod", "S5F", and "ReplaySHM + DMS" in Johnson et al. (2025):

model files
Thrifty-prod thrifty-models/models/cnn_ind_lrg-v1wyatt-simple-0.*
S5F mutability rates: data/S5F/hh_s5f_muts.csv
substitution rates: data/S5F/hh_s5f_subs.csv
ReplaySHM + DMS heavy chain SHM: data/gcreplay/chigy_hc_mutation_rates_nt.csv
light chain SHM: data/gcreplay/chigy_lc_mutation_rates_nt.csv
DMS: data/gcreplay/final_variant_scores.csv

Scripts to reproduce figures in Johnson et al. (2025) are found in notebooks/.

Terminology

  • An "aaprob" matrix is a matrix that expresses the probability of various child amino acid substitutions for each site, laid out with sites on the rows and amino acids on the columns.

Use

Running it to get matrices:

epam aaprob NetamSHM '{"model_path_prefix": "/fh/fast/matsen_e/shared/bcr-mut-sel/netam-shm/trained_models/cnn_ind_med-shmoof_small-full-0"}' _ignore/wyatt-10x-1p5m_pcp_2023-09-11.first100.csv _ignore/output.hdf5

Parent-child pairs of B cell receptor sequences

Dataframes of parent-child pairs analyzed in Johnson et al. (2025) can be obtained by downloading pcps.tar.gz from https://doi.org/10.5281/zenodo.17353498.

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