Pinned Repositories
bspwm-dots
Bspwm dotfiles
cme-simulation
Stochastic Simulation of SRN models
condiana-jones
Try to approximately rewind time for a conda environment. A new conda file is generated with a version constraint correspondin to the date.
DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
kinodata
Collection of scripts / notebooks to reliably select datasets
kinodata-3D-affinity-prediction
DL models to test added value of using generated complex data for affinity prediction
kinodata-docking
Docking pipeline for kinodata
kinoml
Structure-informed machine learning for kinase modeling
mjp_bridging
StochasticCovid19
Stochastic (Monte-Carlo) simulation of the of Covid-19 pandemic (of the SARS-CoV-2 virus) on complex networks (contact graphs).
mbackenkoehler's Repositories
mbackenkoehler/cme-simulation
Stochastic Simulation of SRN models
mbackenkoehler/DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
mbackenkoehler/mjp_bridging
mbackenkoehler/StochasticCovid19
Stochastic (Monte-Carlo) simulation of the of Covid-19 pandemic (of the SARS-CoV-2 virus) on complex networks (contact graphs).
mbackenkoehler/bspwm-dots
Bspwm dotfiles
mbackenkoehler/condiana-jones
Try to approximately rewind time for a conda environment. A new conda file is generated with a version constraint correspondin to the date.
mbackenkoehler/kinodata
Collection of scripts / notebooks to reliably select datasets
mbackenkoehler/kinodata-3D-affinity-prediction
DL models to test added value of using generated complex data for affinity prediction
mbackenkoehler/kinodata-docking
Docking pipeline for kinodata
mbackenkoehler/kinoml
Structure-informed machine learning for kinase modeling
mbackenkoehler/mbackenkoehler.github.io
mbackenkoehler/nextaid
mbackenkoehler/ssa-hs
Stochastic Simulation Algorithm (SSA) [Gillespie]
mbackenkoehler/teachopencadd
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
mbackenkoehler/volkamerlab_org
Hugo website for volkamerlab.org