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openkinome

A @volkamerlab + @choderalab joint project, funded by the Stiftung Charité (Einstein BIH Visiting Fellow Project), Bayer and others

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kinoml kinoml Public

Structure-informed machine learning for kinase modeling

Jupyter Notebook 60 24
kinodata kinodata Public

Collection of scripts / notebooks to reliably select datasets

Jupyter Notebook 31 18

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Showing 10 of 10 repositories

kinoml Public
Structure-informed machine learning for kinase modeling

openkinome/kinoml's past year of commit activity

Jupyter Notebook 60 MIT 24 15 9 Updated Jul 22, 2026
multi-objective-kinodata-3D Public
DL models to test added value of using generated complex data for affinity prediction

openkinome/multi-objective-kinodata-3D's past year of commit activity

Python 2 MIT 0 0 0 Updated May 28, 2026
kinoml-techpaper-LiveCoMS Public

openkinome/kinoml-techpaper-LiveCoMS's past year of commit activity

TeX 0 CC-BY-4.0 1 0 0 Updated Nov 20, 2025
kinase-docking-benchmark Public
Benchmarking of cross-docking strategies for kinases

openkinome/kinase-docking-benchmark's past year of commit activity

Jupyter Notebook 3 MIT 1 0 2 Updated Sep 1, 2024
kinodata Public
Collection of scripts / notebooks to reliably select datasets

openkinome/kinodata's past year of commit activity

Jupyter Notebook 31 MIT 18 3 2 Updated Jan 28, 2024
study-abl-resistance Public
Predicting the impact of point mutations on ligand binding to ABL

openkinome/study-abl-resistance's past year of commit activity

Jupyter Notebook 0 MIT 0 0 1 Updated Apr 20, 2022
experiments-binding-affinity Public

openkinome/experiments-binding-affinity's past year of commit activity

Jupyter Notebook 8 9 3 1 Updated Mar 28, 2022
study-ntrk-resistance Public

openkinome/study-ntrk-resistance's past year of commit activity

Jupyter Notebook 0 MIT 0 0 1 Updated Jul 30, 2021
kinase-conformational-modeling Public
Markov state modeling for kinase conformations

openkinome/kinase-conformational-modeling's past year of commit activity

Python 3 MIT 2 0 0 Updated May 17, 2021
openkinome.github.io Public
Gateway to the documentation in our projects

openkinome/openkinome.github.io's past year of commit activity

1 0 0 0 Updated Apr 30, 2021

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