Here's an pixel art reproduction of me. (I do exist though)
Heya! I'm Alexander.
I’m a 32yo research fellow and university lecturer at the AmsterdamUMC and use-case leader in the phems.eu consortium at the ErasmusMC. Oh, and I am also a research associate at Monash University, Australia.
Check out my projects
About Me
I am a Computational Scientist specializing in applying advanced generative AI methodologies to solve complex, multi-scale design problems. My expertise lies in translating deep scientific challenges into robust, data-driven computational frameworks designed to predict and create novel solutions.
My core focus is on Generative Design, utilizing state-of-the-art generative models such as Flow-based methods and Diffusion models. I apply these techniques within the context of physical constraints, guiding the design process via (implicit) free energy minimization principles. I also have detailed expertise using probabilistic methods, including Variational Inference and Bayesian Active Learning, which are foundational techniques for robust handling of uncertainty and ensuring optimal generalization across high-dimensional design spaces.
My background demonstrates a strong ability to navigate several high-complexity scientific domains. I have a proven record of developing unifying computational frameworks and pioneering the adoption of machine learning in highly regulated fields. My work in structural and molecular design, including the development of de novo protein design pipelines, has prepared me to tackle the multi-scale complexity inherent in the design of novel molecules and functional materials.

I am motivated by difficult, deep problems that reward computational and unconventional thinking, driving me to build the next generation of exciting scientific solutions to our greatest challenges in health, energy, and climate change.
Main Projects
phems.eu
Enabling privacy-aware sharing of sensitive medical data across paediatric hospitals in Europe using federated learning.
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Binder design
Design and development of a modular optimisation pipeline for (contrastive) multi-target binder design.
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Gaussian Process Flows
Laying the groundworks for a foundational model in pharmacometrics through Bayesian Inference over mechanistic models.
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Ribosome.jl
A fast, high-level programming language for generative binder design that runs on any computational infrastructure.
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OPTICLOT
Delivering tailored dosing regimens to patients with rare bleeding disorders all ove the world.
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Open Source Projects
DeepCompartmentModels.jl: Julia package for defining and training deep compartment models for pharmacometric applications.
GenerativeFlows.jl: Julia package bringing together Flow-based generative models (Normalising Flows, Diffusion, and Flow Matching) under a single, simple interface.
LuxFold.jl Julia-based implementation of interface for macromolecular structure prediction models along with popular models such as AlphaFold, Boltz, and Protenix.
LuxTriangleAttention.jl Julia package implementing algorithms for super-fast Triangle Attention.
LuxProteinMPNN.jl: Pure Julia implementation of the popular ProteinMPNN sequence recovery model.
NaturalOptimisers.jl Implementation of plug-and-play optimisers to turn any problem into a Variational problem! Uses efficient gradient estimation and natural parameter updates to speed up convergence.