Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

update software and improve global epistasis convergence #162

Merged
merged 11 commits into from
Nov 28, 2024

Conversation

jbloom
Copy link
Contributor

@jbloom jbloom commented Nov 28, 2024

This pull request is designed to address #158. In limited testing it may have improved correlation between global epistasis fits and single mutant func scores, with the biggest difference being stricter convergence criteria and more iterations.

Also updates software versions and makes notebooks no longer read configuration YAMLs but instead have variables explicitly passed from papermill.

Specifically, here are all the changes:

  • The func_effects_global_epistasis notebooks now make plots showing correlation between mutation effects inferred for mutations by the global epistasis model versus the average effects of these mutations among all single-mutant variants. This helps with evaluating questions like this about whether single mutant estimates are being affected by the global epistasis model.
  • Increased the number of iterations and the stringency of the convergence criteria for the multidms global epistasis model fitting per the suggestions here.
  • Update conda environment to latest versions of altair (5.4 -> 5.5), baltic (0.2.2 -> 0.3), biopython (1.83 -> 1.84), entrez-direct (16.2 -> 22.4), markdown (3.4 -> 3.6), matplotlib (3.8 -> 3.9). minimap2 (2.26 -> 2.28), plotnine (0.12 -> 0.14), python (3.11 -> 3.12), ruamel.yaml(0.17 -> 0.18),snakemake(8.20.6 -> 8.25.3),alignparse(0.6.2 -> 0.6.3), andmultidms(0.3.3 -> 0.4.0). Note that installingmultidmsdowngradesaltair` to 5.1.2 due to this issue.
  • Made some internal changes to code to adjust to version update of ruamel.yaml, as new version drops round_trip_dump and safe_load.
  • Some notebooks previously read input parameters from the YAML configuration file, which is non-ideal as it meant that snakemake was not explicitly tracking what was passed to them. Fixed this: now all parameters they use are passed via papermill parameterization.

@jbloom jbloom linked an issue Nov 28, 2024 that may be closed by this pull request
@jbloom jbloom merged commit 49bad50 into main Nov 28, 2024
2 checks passed
@jbloom jbloom deleted the 158-update-multidms branch November 28, 2024 13:40
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

Issue with multiDMS v0.3.3
1 participant