Harris, Charles

15 publications

TMLR 2026 TABASCO: A Fast, Simplified Model for Molecular Generation with Improved Physical Quality Carlos Vonessen, Charles Harris, Miruna Cretu, Pietro Lio

TMLR 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

ICLR 2025 SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints Miruna Cretu, Charles Harris, Ilia Igashov, Arne Schneuing, Marwin Segler, Bruno Correia, Julien Roy, Emmanuel Bengio, Pietro Lio

ICLR 2025 gRNAde: Geometric Deep Learning for 3D RNA Inverse Design Chaitanya K. Joshi, Arian Rokkum Jamasb, Ramon Viñas Torné, Charles Harris, Simon V Mathis, Alex Morehead, Rishabh Anand, Pietro Lio

ICMLW 2024 Ensemble Guidance: Towards Generative 3D SBDD in Bioactive Chemical Spaces Charles Harris, Arian Rokkum Jamasb, Pietro Lio, Tom Leon Blundell

ICLR 2024 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, Jianlin Cheng, Pietro Lio, Tom Leon Blundell

ICMLW 2024 RNA-FrameFlow for De Novo 3D RNA Backbone Design Rishabh Anand, Chaitanya K. Joshi, Alex Morehead, Arian Rokkum Jamasb, Charles Harris, Simon V Mathis, Kieran Didi, Bryan Hooi, Pietro Lio

ICMLW 2024 RNA-FrameFlow for De Novo 3D RNA Backbone Design Rishabh Anand, Chaitanya K. Joshi, Alex Morehead, Arian Rokkum Jamasb, Charles Harris, Simon V Mathis, Kieran Didi, Bryan Hooi, Pietro Lio

ICLRW 2024 SynFlowNet: Towards Molecule Design with Guaranteed Synthesis Pathways Miruna Cretu, Charles Harris, Julien Roy, Emmanuel Bengio, Pietro Lio

ICLRW 2023 Flexible Small-Molecule Design and Optimization with Equivariant Diffusion Models Charles Harris, Kieran Didi, Arne Schneuing, Yuanqi Du, Arian Rokkum Jamasb, Michael M. Bronstein, Bruno Correia, Pietro Lio, Tom Leon Blundell

NeurIPSW 2023 Modelling Biology in Novel Ways - An AI-First Course in Structural Bioinformatics Kieran Didi, Charles Harris, Pietro Lio, Rainer Beck

NeurIPSW 2023 PoseCheck: Generative Models for 3D Structure-Based Drug Design Produce Unrealistic Poses Charles Harris, Kieran Didi, Arian Jamasb, Chaitanya Joshi, Simon Mathis, Pietro Lio, Tom Blundell

NeurIPSW 2023 PoseCheck: Generative Models for 3D Structure-Based Drug Design Produce Unrealistic Poses Charles Harris, Kieran Didi, Arian Jamasb, Chaitanya Joshi, Simon Mathis, Pietro Lio, Tom Blundell

NeurIPS 2022 Graphein - A Python Library for Geometric Deep Learning and Network Analysis on Biomolecular Structures and Interaction Networks Arian Jamasb, Ramon Viñas Torné, Eric Ma, Yuanqi Du, Charles Harris, Kexin Huang, Dominic Hall, Pietro Lió, Tom Blundell

ICMLW 2022 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