v1.5.2

First CRAN release since 1.3.0, including all changes from 1.3.1 to 1.5.1.
See the changelog for the full list.

Reproducing the FastRet paper

freda.zip contains everything needed to regenerate the figures, tables and numeric constants of the FastRet paper (Fadil et al., 2026, doi:10.1021/acs.jcim.6c01344) and its Supporting Information:

• paper.R: the analysis code as a single R script with entry point main().

• stats2.sqlite: the cached model performances, benchmark and cross-lab results.

• Measurements_v10P_split.xlsx: the measured retention times with the train/test splits used in the paper.

• README.md: usage instructions.

Unzip it, then run Rscript paper.R inside the freda/ folder (Java required).
With the shipped cache this takes about two minutes and reproduces the published outputs byte for byte.