| Structure-based drug design with equivariant diffusion models A Schneuing, C Harris, Y Du, K Didi, A Jamasb, I Igashov, W Du, ... Nature Computational Science 4 (12), 899-909, 2024 | 221* | 2024 |
| Graphein-a python library for geometric deep learning and network analysis on biomolecular structures and interaction networks A Jamasb, R Viñas Torné, E Ma, Y Du, C Harris, K Huang, D Hall, P Lió, ... Advances in Neural Information Processing Systems 35, 27153-27167, 2022 | 53* | 2022 |
| Posecheck: Generative models for 3d structure-based drug design produce unrealistic poses C Harris, K Didi, A Jamasb, C Joshi, S Mathis, P Lio, T Blundell NeurIPS 2023 Generative AI and Biology (GenBio) Workshop, 2023 | 46* | 2023 |
| Machine learning-aided generative molecular design Y Du, AR Jamasb, J Guo, T Fu, C Harris, Y Wang, C Duan, P Liò, ... Nature Machine Intelligence, 1-16, 2024 | 40 | 2024 |
| Multi-state rna design with geometric multi-graph neural networks CK Joshi, AR Jamasb, R Viñas, C Harris, S Mathis, P Liò ICML 2023 Workshop on Computation Biology, 2023 | 15* | 2023 |
| Diffhopp: A graph diffusion model for novel drug design via scaffold hopping J Torge, C Harris, SV Mathis, P Lio arXiv preprint arXiv:2308.07416, 2023 | 9 | 2023 |
| Evaluating representation learning on the protein structure universe AR Jamasb, A Morehead, CK Joshi, Z Zhang, K Didi, S Mathis, C Harris, ... ArXiv, arXiv: 2406.13864 v1, 2024 | 8 | 2024 |
| Synflownet: Towards molecule design with guaranteed synthesis pathways M Cretu, C Harris, J Roy, E Bengio, P Liò ICLR 2024 Workshop on Generative and Experimental Perspectives for …, 2024 | 8 | 2024 |
| Flexible Small-Molecule Design and Optimization with Equivariant Diffusion Models C Harris, K Didi, A Schneuing, Y Du, AR Jamasb, MM Bronstein, ... ICLR 2023-Machine Learning for Drug Discovery workshop, 2023 | 3 | 2023 |
| RNA-FrameFlow: Flow Matching for de novo 3D RNA Backbone Design R Anand, CK Joshi, A Morehead, AR Jamasb, C Harris, SV Mathis, K Didi, ... arXiv preprint arXiv:2406.13839, 2024 | 2 | 2024 |
| Modelling biology in novel ways-an AI-first course in Structural Bioinformatics K Didi, C Harris, P Lio, R Beck NeurIPS 2023 AI for Science Workshop, 0 | | |
Pietro LiòProfessor, University of CambridgeVerified email at cam.ac.uk