About David Buterez
I am currently pursuing a PhD degree in Computer Science, with a focus on Machine Learning techniques for biology and chemistry. More generally, I am interested in applying Computer Science techniques in fields relevant to human biology and health, as well as rapidly developing areas like biotechnology, synthetic biology, and alternative computing paradigms.
Intro Content
Communications Chemistry
Modelling local and general quantum mechanical properties with attention-based pooling
Atomistic neural networks represent the state-of-the-art for approximating quantum chemical properties of molecules. However, the atom aggregation or pooling function is relatively understudied. Here we develop an attention-based solution for learning molecular representations from sets of atoms.
