Mattergen: a generative model for inorganic materials design C Zeni, R Pinsler, D Zügner, A Fowler, M Horton, X Fu, S Shysheya, ... arXiv preprint arXiv:2312.03687, 2023 | 101 | 2023 |
Fast protein backbone generation with SE (3) flow matching J Yim, A Campbell, AYK Foong, M Gastegger, J Jiménez-Luna, S Lewis, ... arXiv preprint arXiv:2310.05297, 2023 | 60 | 2023 |
Improved motif-scaffolding with se (3) flow matching J Yim, A Campbell, E Mathieu, AYK Foong, M Gastegger, J Jiménez-Luna, ... arXiv preprint arXiv:2401.04082, 2024 | 26 | 2024 |
Re-evaluating chemical synthesis planning algorithms A Tripp, K Maziarz, S Lewis, G Liu, M Segler NeurIPS 2022 AI for Science: Progress and Promises, 2022 | 13 | 2022 |
PREFER: A New Predictive Modeling Framework for Molecular Discovery J Lanini, G Santarossa, F Sirockin, R Lewis, N Fechner, H Misztela, ... Journal of Chemical Information and Modeling 63 (15), 4497-4504, 2023 | 8 | 2023 |
Retro-fallback: retrosynthetic planning in an uncertain world A Tripp, K Maziarz, S Lewis, M Segler, JM Hernández-Lobato arXiv preprint arXiv:2310.09270, 2023 | 7 | 2023 |
Accurate imputation and efficient data acquisitionwith transformer-based vaes S Lewis, T Matejovicova, Y Li, A Lamb, Y Zaykov, M Allamanis, C Zhang NeurIPS 2021 Workshop on Deep Generative Models and Downstream Applications, 2021 | 5 | 2021 |
Scalable emulation of protein equilibrium ensembles with generative deep learning S Lewis, T Hempel, J Jiménez Luna, M Gastegger, Y Xie, AYK Foong, ... bioRxiv, 2024.12. 05.626885, 2024 | 1 | 2024 |
Holographic Storage for the Cloud: advances and challenges N Cheriere, J Chu, G Brennan, P Cameron, P Da Costa, J Gladrow, ... ACM Transactions on Storage, 2024 | | 2024 |