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upgraded Python version to >=3.10,<4.0 in pyproject.toml, poetry.lock and databses-ci; added biotite package to dependencies #63

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merged 29 commits into from
Nov 12, 2024

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jessicaw9910
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@jessicaw9910 jessicaw9910 commented Oct 22, 2024

Description

Initial commits for ML sub-package.

Todos

  • MSA for inter-KLIFS pocket region
  • Initial code for ESM-2 HuggingFace modeling
  • pyproject.toml for ML sub-package - deferring this

Questions

  • How to handle installing different subpackages

Status

  • In progress

…, and databses-ci; added biotite package to dependencies
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codecov bot commented Oct 22, 2024

Codecov Report

Attention: Patch coverage is 10.47297% with 265 lines in your changes missing coverage. Please review.

Project coverage is 37.71%. Comparing base (bdea8c6) to head (a0d0eb4).

❗ There is a different number of reports uploaded between BASE (bdea8c6) and HEAD (a0d0eb4). Click for more details.

HEAD has 30 uploads less than BASE
Flag BASE (bdea8c6) HEAD (a0d0eb4)
databases 36 6
Additional details and impacted files

jessicaw9910 and others added 28 commits October 25, 2024 17:35
…nfo.KLIFS2UniProtSeq[region] TypeError; removed KLIFSPocket remnants
@jessicaw9910 jessicaw9910 merged commit 04ea845 into main Nov 12, 2024
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