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OpenFEPOPS v1.8.1

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@stevenshave stevenshave released this 11 Oct 09:42
· 11 commits to master since this release

Addresses reviewer comments with an aim to publish OpenFEPOPS in the Journal of Open Source Software.

What's Changed

  • Small expansion to the paper to clarify acronyms, how averaged AUROC scores were calculated, and succinctly compare similarity method performance.
  • Removed the term macro from mention of averaging in README.md, online docs and paper.
  • Fixed a pip install dependency error in which the old RDKit package "rdkit-pypi" was listed in requirements instead of the new "rdkit" name.