Geometric Deep Learning for Molecular Modelling and Design: A personal scientific journey

YouTube video by Chaitanya K. Joshi

How we designed catalytic RNA functions, and what I learned holding a pipette at the MRC Laboratory of Molecular Biology.

gRNAde is a Generative AI framework for inverse design of 3D RNA structure and function - chaitjo/geometric-rna-design

Generative machine learning (ML) models hold great promise for accelerating materials discovery through the inverse design of inorganic crystals, enabling an unprecedented exploration of chemical spac...

How our AI system, gRNAde, matched human experts at the complex game of RNA folding—and why it matters.

The design of RNA molecules with bespoke three-dimensional structures and functions is a central goal in synthetic biology and biotechnology. However, progress has been limited by the challenges of de...

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Dynamics, black-box data, and the antedisciplinary frontier of biomolecule design

Deep learning methods trained on protein structure databases have revolutionized biomolecular structure prediction, but developing and training new models remains a considerable challenge. To facilita...

Workshop on Machine Learning in Structural Biology co-located with NeurIPS 2025