Benchmarking Generated Poses: How Rational is Structure-based Drug Design with Generative
Models?.
C. Harris, K. Didi, A. Jamasb, C. Joshi, S. Mathis, P. Lio, T. Blundell.
Under review.
DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping.
J. Torge, C. Harris, S. Mathis, P. Lio.
Spotlight - ICML WCB 2023.
Multi-State RNA Design with Geometric Multi-Graph Neural Network.
C. Joshi, A. Jasamb, R. Vinas C. Harris, S. Mathis, P. Lio
ICML WCB 2023.
Flexible Small-Molecule Design and Optimization with Equivariant Diffusion Models.Charles
Harris, K. Didi, A. Schneuing, Y. Du, A. Jamasb, M. Bronstein, B. Correia, P. Lio, T.
Blundell.
ICLR MLDD 2023.
Structure-based Drug Design with Equivariant Diffusion Models.
Arne Schneuing, Yuanqi Du, Charles Harris, Arian Jamasb, Ilia Igashov, Weitao Du, Tom
Blundell, Pietro Lió,
Carla Gomes, Max Welling, Michael Bronstein, Bruno Correia.
NeurIPS 2022 Machine Learning for Structural Biology Workshop, Under review at ICLR 2023. Link.
Graphein - a Python Library for Geometric Deep Learning and Network Analysis on Biomolecular
Structures and Interaction Networks.
Arian Rokkum Jamasb, Ramon Viñas Torné, Eric J Ma, Yuanqi Du, Charles Harris, Kexin Huang,
Dominic Hall, Pietro Lio, Tom Leon Blundell.
NeurIPS 2022 and ICML 2022 AI for Science Workshop. Link
Graphein
I am currently contributing to the open source package Graphein whilst aims to democratise access to
biological data to use in Geometric Deep Learning. Most of my work focuses on the protein graph
submodule.
1st Imperial College AI in Drug Discovery Conference
Organised and chaired the first ever student-led conference dedicated to just AI in Drug Discovery.
I also had the honour to moderate 2 panel discussions. One focusing on the business aspects of running
and AI in DD startups with the CEOs of LabGenius,
Biorelate, GlamourousAI and OneThree Biotech. The second was a science panel with Prof Sir Tom Blundell,
Prof Michael Bronstein and Dr Andreas Bender.
Imperial College Computational Biology Society
I founded and chaired the Imperial College Computational Biology Society for 2 year. The Society is a
student-led group for those intereted in the intersection of biology and technology. In addition to the
conference, we also organised regular webinars (DeepMind, BenevolentAI, Nvidia) and workshops to teach
Life Scientists how to code.
I am a passionate believer in the importance of science communication and actively looking for
opportunities to improve my skills. Please feel free to reach out to me if you would like a speaker
with my background to appear on you outlet. Please see below for an example of my previous work.
Guest Appeareance - iGEM Synthetic Biology
Podcast
In this episode, I try to explain how AlphaFold2 works to a general audience with only a biological
background. I also discuss future areas in structural biology that DeepMind could be working on and
generally what this breakthrought means for biological research.
Advisory Positions
Imperial Internation Directed
Evolution Competition (iDEC) Team
Awards
Gold - International Chemistry Olympiad 2017 UK Round One
David Lean Scholar - Leighton Park School
Prefect - Leighton Park School
Extra Qualifications
Royal Areo Club certified solo glider pilot
GCSE Mandarin (A)
Volunterring
Ambassador - Helen Arkell Dyslexia Charity
