righor

Crates.iorighor
lib.rsrighor
version0.2.1
sourcesrc
created_at2024-03-28 00:03:41.975484
updated_at2024-03-28 00:36:14.919524
descriptionRighor creates model of Ig/TCR sequences from sequencing data.
homepagehttps://github.com/Thopic/righor
repository
max_upload_size
id1188524
Thomas Dupic

documentation

README

# RIGHOR Install rust (potentially slow): -------------------------------- ``` sh curl --proto '=https' --tlsv1.2 -sSf https://sh.rustup.rs | sh ``` Install the library: -------------------- In the git folder: ``` sh pip install maturin maturin develop --release -F py_binds,pyo3 --profile release ``` How to use: ----------- Fast generation: ```py import righor # Create generation model (once only) gen = righor.vdj.Generator( "models/human_T_beta/model_params.txt", "models/human_T_beta/model_marginals.txt", "models/human_T_beta/V_gene_CDR3_anchors.csv", "models/human_T_beta/J_gene_CDR3_anchors.csv") # Generate productive amino-acid sequence result = gen.generate(True) # False for unproductive print(f"Full sequence: {result.full_seq}") print(f"V gene: {result.v_gene}, J gene: {result.j_gene}") print(f"CDR3: {result.cdr3_nt} {result.cdr3_aa}") ``` Inference: ```py import righor from tqdm import tqdm # load the model model = righor.vdj.Model.load_model("models/human_T_beta/model_params.txt", "models/human_T_beta/model_marginals.txt", "models/human_T_beta/V_gene_CDR3_anchors.csv", "models/human_T_beta/J_gene_CDR3_anchors.csv") # define parameters for the alignment and the inference align_params = righor.AlignmentParameters(min_score_v=0, min_score_j=0,max_error_d=100) infer_params = righor.InferenceParameters(min_likelihood=1e-400) # read the file line by line and align each sequence seq = [] with open('demo/murugan_naive1_noncoding_demo_seqs.txt') as f: for l in tqdm(f): s = model.align_sequence(l.strip(), align_params) r = model.infer(s, infer_params) print(r.likelihood) ``` Differences with IGoR: - "dynamic programming" method, instead of summing over all events we first pre-compute over sum of events. This means that we can run it with undefined nucleotides like N (at least in theory, I need to add full support for these). - The D gene alignment is less constrained Limitations (I think also true for IGoR but not clear): - Need to get rid of any primers/ends on the V gene side before running it - The reads need to be long enough to fully cover the CDR3 (even when it's particularly long) - still not sure if I should use initial_distribution for the insertion model Programming stuff: - I'm working on the web version on a different crate, importing the library, need to push that on git. - python version: also a different crate now (will maybe loop it back in) - when adding a model, add it to "models.json". First model in a category is the default model. Each field is one independant model. The elements in chain and species should always be lower-case. Things to do: - test the inference in detail - add more tests - deal with the "pgen with errors" - deal with potential insertion in V/J alignment, remove the sequence from the inference if the insertion overlap with the delv range. - test the restricted V gene option for generation. - write igor file, offer a json export - StaticEvent / GenEvent - modify the way I deal with added error (make it cleaner, with a "ErrorDistribution" thing or smt) - deal with amino-acid and generic "undefined" stuff. Strat: define an extended Dna object that the alignment can deal with + define the insertion thing so that it can deal with that This second one is slightly a pain (the first one too ? No it's fine, just a bit longer to deal with). I would need to add sums here and there, nothing impossible, but slightly more a pain. In short some position must be linked, this will complexify quite a bit the definition of Dna (more precisely this will be a new class). So UndefinedDna would contains for each position a vec/array of bytes and a int giving the positions they're connected with (just need two options for everything). This is very specific to the aa case, but why should I care. A bit complicated rn, leaving it for later. - improve alignment so that it can deal with potential indels. - add simpler inference (without full VDJ, without V-J...) - publish cargo package - json export and loading - run cargo clippy - clean up gen event / static event if possible. - make it work with CDR3 + V gene + J gene (require implementing some of the python function in rust) TODO before v0.2: - publish pip package - make a python notebook for example with: load model, align sequences, display aligned sequences, evaluate, display evaluate (incl. features), infer model, display inferred model. - use pgen for the online version - fix the inference, there is still a problem left (clearly). V/J work great (makes sense), but D and insertions fail. Similarly delV fails and delJ mostly fails. There's clearly a problem with delv. Best guesss: there's a problem with the normalisation ? Current status: - speed is ok (50 seqs/s roughly ?). Could be slightly faster. I think some range should be replaced by iterator. - pgen works, but because I consider way more D gene alignment than Quentin some issue when endD and startD are really close to each other.
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