Release v1.2.0
This release includes an update of the fragment library to the newest version of KLIFS, fixes and updates to the environment, and code enhancements.
Enhancements
Code
- Updated and enhancements to fragmentation process in KinaseFocuesFragmentLibrary GitHub (https://github.com/volkamerlab/KinaseFocusedFragmentLibrary) which results in an updated fragmentation library
- Integrated larger fragment library in KinFragLib: #58
Documentation
Fixes
Environment
- Fixed missing find_packages import: #43
- Made opencadd conda installable: #42
- Updated RDKit and pandas packages: #58
Code
CI
Thanks to @dominiquesydow, @PaulaKramer and @kabu00002 for the updates!