OpenFEPOPS v1.8.1
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.