Add to CI: Automatically update local copy of KLIFS IDs which are needed when using opencadd's local session (KLIFS IDs are not shipped with the local KLIFS download).
Rerun opencadd/data/klifs_ids.ipynb notebook to generate newopencadd/dta/klifs_ids.YYYYMMDD.csv.gz data file.
If some IDs are duplicated (a) throw error or (b) add log file alongside the csv file?
Alternative: Ask KLIFS maintainers if they could add structure/kinase/ligand KLIFS IDs to the local download csv files?
Add to CI: Automatically update local copy of KLIFS IDs which are needed when using opencadd's local session (KLIFS IDs are not shipped with the local KLIFS download).
opencadd/data/klifs_ids.ipynbnotebook to generate newopencadd/dta/klifs_ids.YYYYMMDD.csv.gzdata file.Alternative: Ask KLIFS maintainers if they could add structure/kinase/ligand KLIFS IDs to the local download csv files?