Author here. I recently defended my PhD thesis on Geometric Deep Learning. This post summarizes 4 years of research into three main questions covering:

- Theoretical expressivity of 3D molecular representations (Geometric WL test).

- Unified generative modelling for crystals and molecules (Diffusion Transformers).

- Inverse design of RNA structure/function with wet-lab validation.

Happy to answer any questions about the research or the PhD process!