| Structure-based drug design with equivariant diffusion models A Schneuing, Y Du, C Harris, A Jamasb, I Igashov, W Du, T Blundell, P Lió, ... arXiv preprint arXiv:2210.13695, 2022 | 76 | 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 | 17* | 2023 |
| 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 | 6 | 2022 |
| Evaluating representation learning on the protein structure universe AR Jamasb, A Morehead, Z Zhang, CK Joshi, K Didi, SV Mathis, C Harris, ... The twelfth international conference on learning representations, 2023 | 3 | 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 | 3 | 2023 |
| Multi-state rna design with geometric multi-graph neural networks CK Joshi, AR Jamasb, R Viñas, C Harris, S Mathis, P Liò arXiv preprint arXiv:2305.14749, 2023 | 1 | 2023 |
| Flexible Structure-based Design of Small Molecules with Equivariant Diffusion Models A Schneuing, Y Du, C Harris, K Didi, A Jamasb, I Igashov, W Du, ... PROTEIN SCIENCE 32 (12), 2023 | | 2023 |
| 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, 2023 | | 2023 |
| 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 | | 2023 |
| Flexible Small-Molecule Design and Optimization with Equivariant Diffusion Models TLB Charles Harris, Kieran Didi, Arne Schneuing, Yuanqi Du, Arian Rokkum ... ICLR 2023-Machine Learning for Drug Discovery workshop, 2023 | | 2023 |
