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@jbloom jbloom commented Dec 12, 2025

See here; the issue has to do with how sites are handled when harmonizing epitopes in PolyclonalAverage when sequential integer sites are being used. This fixes the issue when there is just one epitope by simply returning a copy of the original model. In multi-epitope scenarios there may still be an error if different models only have data for subsets of sites.

Specific changes (this becomes version 6.17):

6.17

  • Fixed bug in PolyclonalAverage due to epitope harmonization when sequential integer sites are being used, see here <https://github.com/dms-vep/MERS-Spike-EMC2012-DMS/issues/21>_. This fix may only work when just one epitope is being used, with multiple epitopes there still may be issues with how the sites are assigned:
    • Do not mutate the input models_df in PolyclonalAverage; make a copy
    • When there is just one epitope, return a deepcopy of self when harmonizing epitopes
  • Test on Python 3.12 rather than 3.11.

@jbloom jbloom merged commit a48c019 into main Dec 12, 2025
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@jbloom jbloom deleted the PolyclonalAverage-site-bug branch December 12, 2025 14:06
jbloom added a commit to dms-vep/dms-vep-pipeline-3 that referenced this pull request Dec 12, 2025
This is a minor bug fix update that addresses an issue with averaging models when using sequential integer sites (see [here](dms-vep/MERS-Spike-EMC2012-DMS#21) and [here](jbloomlab/polyclonal#190)).
jbloom added a commit to dms-vep/dms-vep-pipeline-3 that referenced this pull request Dec 12, 2025
This is a minor bug fix update that addresses an issue with averaging models when using sequential integer sites (see [here](dms-vep/MERS-Spike-EMC2012-DMS#21) and [here](jbloomlab/polyclonal#190)).
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