Charles Harris

16 papers A* 4Journal 11Unranked 1
YearRankTypeTitle / Venue / Authors
2026 J jnl
TABASCO: A Fast, Simplified Model for Molecular Generation with Improved Physical Quality.
Trans. Mach. Learn. Res.
Carlos Vonessen, Charles Harris, Miruna T. Cretu, Pietro Lio
2025 J jnl
Flows, straight but not so fast: Exploring the design space of Rectified Flows in Protein Design.
CoRR
Junhua Chen, Simon V. Mathis, Charles Harris, Kieran Didi, Pietro Lio
2025 J jnl
RNA-FrameFlow: Flow Matching for de novo 3D RNA Backbone Design.
Trans. Mach. Learn. Res.
Rishabh Anand, Chaitanya K. Joshi, Alex Morehead, Arian Rokkum Jamasb, Charles Harris, Simon V. Mathis, Kieran Didi, Rex Ying, Bryan Hooi, Pietro Lio
2025 A* conf
SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints.
ICLR
Miruna T. Cretu, Charles Harris, Ilia Igashov, Arne Schneuing, Marwin H. S. Segler, Bruno E. Correia, Julien Roy, Emmanuel Bengio, Pietro Lio
2025 J jnl
TABASCO: A Fast, Simplified Model for Molecular Generation with Improved Physical Quality.
CoRR
Carlos Vonessen, Charles Harris, Miruna T. Cretu, Pietro Liò
2025 A* conf
gRNAde: Geometric Deep Learning for 3D RNA inverse design.
ICLR
Chaitanya K. Joshi, Arian Rokkum Jamasb, Ramón Viñas Torné, Charles Harris, Simon V. Mathis, Alex Morehead, Rishabh Anand, Pietro Lio
2024 A* conf
Evaluating Representation Learning on the Protein Structure Universe.
ICLR
Arian Rokkum Jamasb, Alex Morehead, Chaitanya K. Joshi, Zuobai Zhang, Kieran Didi, Simon V. Mathis, Charles Harris, Jian Tang, Jianlin Cheng, Pietro Lio, Tom L. Blundell
2024 J jnl
Evaluating representation learning on the protein structure universe.
CoRR
Arian R. Jamasb, Alex Morehead, Chaitanya K. Joshi, Zuobai Zhang, Kieran Didi, Simon V. Mathis, Charles Harris, Jian Tang, Jianlin Cheng, Pietro Lio, Tom L. Blundell
2024 J jnl
Machine learning-aided generative molecular design.
Nat. Mac. Intell.
Yuanqi Du, Arian R. Jamasb, Jeff Guo, Tianfan Fu, Charles Harris, Yingheng Wang, Chenru Duan, Pietro Liò, Philippe Schwaller, Tom L. Blundell
2024 J jnl
RNA-FrameFlow: Flow Matching for de novo 3D RNA Backbone Design.
CoRR
Rishabh Anand, Chaitanya K. Joshi, Alex Morehead, Arian R. Jamasb, Charles Harris, Simon V. Mathis, Kieran Didi, Bryan Hooi, Pietro Liò
2024 J jnl
Structure-based drug design with equivariant diffusion models.
Nat. Comput. Sci.
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, Bruno E. Correia
2024 J jnl
SynFlowNet: Towards Molecule Design with Guaranteed Synthesis Pathways.
CoRR
Miruna T. Cretu, Charles Harris, Julien Roy, Emmanuel Bengio, Pietro Liò
2023 J jnl
Multi-State RNA Design with Geometric Multi-Graph Neural Networks.
CoRR
Chaitanya K. Joshi, Arian R. Jamasb, Ramón Viñas, Charles Harris, Simon V. Mathis, Pietro Liò
2022 A* conf
Graphein - a Python Library for Geometric Deep Learning and Network Analysis on Biomolecular Structures and Interaction Networks.
NeurIPS
Arian R. Jamasb, Ramón Viñas Torné, Eric Ma, Yuanqi Du, Charles Harris, Kexin Huang, Dominic Hall, Pietro Lió, Tom L. Blundell
2022 J jnl
Structure-based Drug Design with Equivariant Diffusion Models.
CoRR
Arne Schneuing, Yuanqi Du, Charles Harris, Arian R. Jamasb, Ilia Igashov, Weitao Du, Tom L. Blundell, Pietro Lió, Carla Gomes, Max Welling, Michael M. Bronstein, Bruno E. Correia
1991 — conf
Evaluating Impacts of Cache Hits on I/O Subsystem Performance.
Int. CMG Conference
Anil K. Sahai, Charles Harris