The next release of the kissim_app
repository holds additional analysis
- based on the Moret profiling dataset (https://doi.org/10.1016/j.chembiol.2019.02.018)
- based on residue subsets, i.e. a DFG-in interaction-focused subset and the Martin et al. subset (https://doi.org/10.1021/ci200314j)
What's Changed
- Pin
rdkit
by @dominiquesydow in #50 - Fix CI fails by @dominiquesydow in #51
- Application: GRK by @dominiquesydow in #53
- Literature residue subsets by @dominiquesydow in #54
- Update kissim scripts to run residue subsets by @dominiquesydow in #56
- Remove Python 3.9 from CI by @dominiquesydow in #57
- Profiling dataset: Moret by @dominiquesydow in #52
Full Changelog: v1.0.0...v1.1.0