JanoschMenke
Postdoc @ Chalmers in cooperation with AstraZeneca. Using Human-in-the-loop machine learning to improve de-novo drug design agents.
Chalmers University of TechnologySweden
Pinned Repositories
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
example_project
Guidelines on how to structure your python project.
functionsIAlwaysUse
intro_pharma_ai
A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.
JanoschMenke.github.io
kinase_nnfp-1
Code to generate kinase-specific fingerprints based on the ECFP4 1024bits
MCMCExample
University Assignment: Code the MCMC algorithm to estimate the parameters of a linear Regression
intro_pharma_ai
A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.
kinase_nnfp
Code to generate kinase-specific fingerprints based on the ECFP4 1024bits
neural_npfp
Repository to recreate experiments and calculate the Neural Natural Product Fingerprint.
JanoschMenke's Repositories
JanoschMenke/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
JanoschMenke/example_project
Guidelines on how to structure your python project.
JanoschMenke/functionsIAlwaysUse
JanoschMenke/intro_pharma_ai
A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.
JanoschMenke/JanoschMenke.github.io
JanoschMenke/kinase_nnfp-1
Code to generate kinase-specific fingerprints based on the ECFP4 1024bits
JanoschMenke/MCMCExample
University Assignment: Code the MCMC algorithm to estimate the parameters of a linear Regression
JanoschMenke/molwall
MolWall: "Wall of molecules" interface to see and rate molecules
JanoschMenke/rdeditor
Simple RDKit molecule editor GUI using PySide
JanoschMenke/reinvent-scoring