Evaluating Impacts of Cache Hits on I/O Subsystem Performance. - Anil K. Sahai; Charles Harris (Int. CMG Conference, 1991)

Graphein - a Python Library for Geometric Deep Learning and Network Analysis on Biomolecular Structures and Interaction Networks. - Arian R. Jamasb; Ramón Viñas Torné 001; Eric Ma; Yuanqi Du; Charles Harris; Kexin Huang; Dominic Hall; Pietro Lió; Tom L. Blundell (NeurIPS, 2022)

Structure-based Drug Design with Equivariant Diffusion Models. - Arne Schneuing; Yuanqi Du; Charles Harris; Arian R. Jamasb; Ilia Igashov; Weitao Du; Tom L. Blundell; Pietro Lió; Carla Gomes 001; Max Welling; Michael M. Bronstein; Bruno E. Correia (CoRR, 2022)

Multi-State RNA Design with Geometric Multi-Graph Neural Networks. - Chaitanya K. Joshi; Arian R. Jamasb; Ramón Viñas 001; Charles Harris; Simon V. Mathis; Pietro Liò (CoRR, 2023)

Evaluating Representation Learning on the Protein Structure Universe. - Arian Rokkum Jamasb; Alex Morehead; Chaitanya K. Joshi; Zuobai Zhang; Kieran Didi; Simon V. Mathis; Charles Harris; Jian Tang 005; Jianlin Cheng; Pietro Lio; Tom L. Blundell (ICLR, 2024)

SynFlowNet: Towards Molecule Design with Guaranteed Synthesis Pathways. - Miruna T. Cretu; Charles Harris; Julien Roy; Emmanuel Bengio; Pietro Liò (CoRR, 2024)

RNA-FrameFlow: Flow Matching for de novo 3D RNA Backbone Design. - Rishabh Anand; Chaitanya K. Joshi; Alex Morehead; Arian R. Jamasb; Charles Harris; Simon V. Mathis; Kieran Didi; Bryan Hooi; Pietro Liò (CoRR, 2024)

Machine learning-aided generative molecular design. - Yuanqi Du; Arian R. Jamasb; Jeff Guo; Tianfan Fu; Charles Harris; Yingheng Wang; Chenru Duan; Pietro Liò; Philippe Schwaller; Tom L. Blundell (Nat. Mac. Intell., 2024)

Structure-based drug design with equivariant diffusion models. - Arne Schneuing; Charles Harris; Yuanqi Du; Kieran Didi; Arian Rokkum Jamasb; Ilia Igashov; Weitao Du; Carla P. Gomes; Tom L. Blundell; Pietro Lio; Max Welling; Michael M. Bronstein; et al. (Nat. Comput. Sci., 2024)

SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints. - Miruna T. Cretu; Charles Harris; Ilia Igashov; Arne Schneuing; Marwin H. S. Segler; Bruno E. Correia; Julien Roy; Emmanuel Bengio; Pietro Lio (ICLR, 2025)

gRNAde: Geometric Deep Learning for 3D RNA inverse design. - Chaitanya K. Joshi; Arian Rokkum Jamasb; Ramón Viñas Torné 001; Charles Harris; Simon V. Mathis; Alex Morehead; Rishabh Anand; Pietro Lio (ICLR, 2025)

RNA-FrameFlow: Flow Matching for de novo 3D RNA Backbone Design. - Rishabh Anand; Chaitanya K. Joshi; Alex Morehead; Arian Rokkum Jamasb; Charles Harris; Simon V. Mathis; Kieran Didi; Rex Ying; Bryan Hooi; Pietro Lio (Trans. Mach. Learn. Res., 2025)

TABASCO: A Fast, Simplified Model for Molecular Generation with Improved Physical Quality. - Carlos Vonessen; Charles Harris; Miruna T. Cretu; Pietro Liò (CoRR, 2025)