3rd Year SABS R³ CDT (and 2nd Year Stats) DPhil student Arun Raja, has been awarded the Graduate Teaching and Research Scholarship in Mathematics at Oriel College for 2024-25.
As part of this scholarship he will be involved in teaching undergraduate mathematics at Oriel College.
Arun has been working on geometric deep learning methods for small molecule drug discovery under the supervision of Prof. Garrett M. Morris, Prof. Charlotte Deane in OPIG and Prof. Michael Bronstein in the Department of Computer Science. Arun’s current work involves developing a novel equivariant graph neural network approach to pre-train property prediction models on pre-calculated quantum chemical data, which he has shown improves the accuracy of biochemical and pharmacological property prediction. His work was recently presented at both the AI for Science and ML4LMS workshops at ICML 2024; and as a flash oral presentation and poster at the RSC’s 7th AI in Chemistry 2024 symposium held in Cambridge.
Congratulations, Arun!
Image: Stats 2nd Year DPhil student Arun Raja presenting his poster, “On the Effectiveness of Quantum Chemistry Pre-training for Small Molecule Property Prediction”, at the recent RSC 7th AI in Chemistry symposium, September 16-18, 2024.
Words and image provided by Prof. Garrett Morris.