fioRa
Mass-Spectra Prediction Using the FIORA Model
Provides a wrapper for the python module 'FIORA' as well as a 'shiny'-App to facilitate data processing and visualization. 'FIORA' allows to predict Mass-Spectra based on the SMILES code of chemical compounds. It is described in the Nature Communications article by Nowatzky (2025) <doi:10.1038/s41467-025-57422-4>.
Versions across snapshots
| Version | Repository | File | Size |
|---|---|---|---|
0.3.7 |
rolling source/ R- | fioRa_0.3.7.tar.gz |
55.6 KiB |
0.3.7 |
latest source/ R- | fioRa_0.3.7.tar.gz |
55.6 KiB |
0.3.7 |
2026-04-23 source/ R- | fioRa_0.3.7.tar.gz |
55.6 KiB |
0.3.7 |
2026-04-09 windows/windows R-4.5 | fioRa_0.3.7.zip |
109.5 KiB |