This is module is undergoing heavy development. None of the API calls are final. This software is provided without any guarantees of correctness, you will likely encounter bugs.
If you are interested in this code, please wait for the official release to use it. In the mean time, to stay informed of development progress you are encouraged to:
Subscribe for new releases (use
Watch> Releases onlyon GitHub)
Check out the Github repository.
OpenKinome & KinoML¶
The OpenKinome initiative aims to leverage the increasingly available bioactivity data and scalable computational resources to perform kinase-centric drug design in the context of structure-informed machine learning and free energy calculations.
KinoML is the main library supporting these efforts.
Do you want to know more about OpenKinome ecosystem? Check its website.