2 code implementations • 14 Aug 2023 • Charles Harris, Kieran Didi, Arian R. Jamasb, Chaitanya K. Joshi, Simon V. Mathis, Pietro Lio, Tom Blundell
Deep generative models for structure-based drug design (SBDD), where molecule generation is conditioned on a 3D protein pocket, have received considerable interest in recent years.
1 code implementation • 24 May 2023 • Chaitanya K. Joshi, Arian R. Jamasb, Ramon Viñas, Charles Harris, Simon Mathis, Alex Morehead, Pietro Liò
Computational RNA design tasks are often posed as inverse problems, where sequences are designed based on adopting a single desired secondary structure without considering 3D geometry and conformational diversity.
no code implementations • 9 Dec 2020 • Thomas Gaudelet, Ben Day, Arian R. Jamasb, Jyothish Soman, Cristian Regep, Gertrude Liu, Jeremy B. R. Hayter, Richard Vickers, Charles Roberts, Jian Tang, David Roblin, Tom L. Blundell, Michael M. Bronstein, Jake P. Taylor-King
Graph Machine Learning (GML) is receiving growing interest within the pharmaceutical and biotechnology industries for its ability to model biomolecular structures, the functional relationships between them, and integrate multi-omic datasets - amongst other data types.
no code implementations • 29 Sep 2020 • Ben Day, Cătălina Cangea, Arian R. Jamasb, Pietro Liò
Neural Processes (NPs) are powerful and flexible models able to incorporate uncertainty when representing stochastic processes, while maintaining a linear time complexity.
1 code implementation • 28 Jun 2020 • Ryan-Rhys Griffiths, Jake L. Greenfield, Aditya R. Thawani, Arian R. Jamasb, Henry B. Moss, Anthony Bourached, Penelope Jones, William McCorkindale, Alexander A. Aldrick, Matthew J. Fuchter Alpha A. Lee
Separating the electronic absorption bands of these isomers is key to selectively addressing a specific isomer and achieving high photostationary states whilst overall red-shifting the absorption bands serves to limit material damage due to UV-exposure and increases penetration depth in photopharmacological applications.