derekvantilborg
PhD candidate @TUeindhoven @molML working on Machine Learning in drug discovery. Active learning in particular.
Eindhoven
Pinned Repositories
Anchored-Ensembles
Bayesian Inference with Anchored Ensembles
Asian_pig_introgression
Scripts to find introgressed regions from Asian pigs in European domesticated pigs from WGS data
BatchBALD
Efficient and Diverse Batch Acquisition for Deep Bayesian Active Learning.
Cancer_in_Agreement
Supplementary material of my Masters thesis
molbotomy
A simple tool to split your molecular data
MolDox
Easy to use docking tools based on autodock Vina
Nano_Particles_Active_Learning
Formulating Nanoparticles with Bayesian active learning
traversing_chem_space
MoleculeACE
A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
traversing_chem_space
derekvantilborg's Repositories
derekvantilborg/MolDox
Easy to use docking tools based on autodock Vina
derekvantilborg/traversing_chem_space
derekvantilborg/Anchored-Ensembles
Bayesian Inference with Anchored Ensembles
derekvantilborg/Asian_pig_introgression
Scripts to find introgressed regions from Asian pigs in European domesticated pigs from WGS data
derekvantilborg/BatchBALD
Efficient and Diverse Batch Acquisition for Deep Bayesian Active Learning.
derekvantilborg/Cancer_in_Agreement
Supplementary material of my Masters thesis
derekvantilborg/molbotomy
A simple tool to split your molecular data
derekvantilborg/Nano_Particles_Active_Learning
Formulating Nanoparticles with Bayesian active learning
derekvantilborg/MennesNet