pschmidtke / kinasebindingmode

work on kinase binding mode paper using knowledge rather than plain ML

README

Data

• kinaseBindingModesKlifs.csv contains a raw extraction from klifs (https://klifs.vu-compmedchem.nl/) and the RCSB PDB (https://www.rcsb.org/). It's a plain extraction from KLIFS without any modification.
• establishReferenceSet.py is the python script to be used to build the aforementioned csv file.