Arian

Jamasb

Benchmarking Generated Poses: How Rational is Structure-based Drug Design with Generative Models? Charlie Harris, Kieran Didi, Arian R. Jamasb, Chaitanya Joshi, Simon Mathis, Pietro Lio, Tom L. Blundell.
arXiv

Structure-based Drug Design with Equivariant Diffusion Models. Arne Schneuing, Yuanqi Du, Charles Harris, Arian R. Jamasb, Ilia Igashov, Weitao Du, Tom Blundell, Pietro Lió, Carla Gomes, Max Welling, Michael Bronstein, Bruno Correia.
arXiv

On Graph Neural Network Ensembles for Large-Scale Molecular Property Prediction Edward E. Kosasih, Joaquin Cabezas, Xavier Sumba, Piotr Bielak, Kamil Tagowski, Kelvin Idanwekhai, Benedict A. Tjandra, Arian R. Jamasb.
arXiv

Deep Learning for Protein–Protein Interaction Site Prediction Arian R. Jamasb, Ben Day, Cătălina Cangea, Pietro Liò, Tom L. Blundell.
Proteomics Data Analysis. Methods in Molecular Biology.

GAUCHE: A Library for Gaussian Processes in Chemistry Ryan-Rhys Griffiths*, Leo Klarner*, Henry Moss*, Aditya Ravuri*, Sang T. Truong*, Bojana Rankovic*, Yuanqi Du*, Arian R. Jamasb*, Aryan Deshwal, Julius Schwartz, Austin Tripp, Gregory Kell, Simon Frieder, Anthony Bourached, Alex Chan, Jacob Moss, Chengzhi Guo, Johannes Durholt, Saudamini Chaurasia, Felix Strieth-Kalthoff, Alpha A. Lee, Bingqing Cheng, Alan Aspuru-Guzik, Philippe Schwaller, Jian Tang
NeurIPS 2023, NeurIPS-W AI4Science, ELLIS-W ML4Molecules (Oral)

Multi-State RNA Design with Geometric Multi-Graph Neural Networks Chaitanya K Joshi, Arian R. Jamasb, Ramon Viñas, Charles Harris, Simon Mathis, Pietro Liò
ICML-W Computational Biology

Protein Representation Learning by Geometric Structure Pretraining Zuobai Zhang, Minghao Xu, Arian R. Jamasb, Vijil Chenthamarakshan, Aurelie Lozano, Payel Das, Jian Tang.
ICLR

Graphein - a Python Library for Geometric Deep Learning and Network Analysis on Biomolecular Structures and Interaction Networks. Arian R. Jamasb, Ramon Vinas Torne, Eric J. Ma, Yuanqi Du, Kexin Huang, Dominic Hall, Pietro Liò, Tom L. Blundell.
NeurIPS

Data-driven Discovery of Molecular Photoswitches with Multioutput Gaussian processes 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.
Chemical Science

Decoding Surface Fingerprints for Protein-Ligand Interactions Ilia Igashov, Arian R. Jamasb, Ahmed Sadek, Freyr Sverrisson, Arne Schneuing, Pietro Lio, Tom L Blundell, Michael Bronstein, Bruno F. Correia.
ICLR-W MLDD

Message Passing Neural Processes Ben Day, Cătălina Cangea, Arian R. Jamasb, Pietro Liò.
ICLR 2022 Workshop on Geometrical and Topological Representation Learning

Structure-aware Generation of Drug-like Molecules Pavol Drotár, Arian R. Jamasb, Ben Day, Cătălina Cangea, Pietro Liò
arXiv:2111.04107 [Oral Presentation at NeurIPS-W MLSB]

Predicted Structural Mimicry of Spike Receptor-Binding Motifs From Highly Pathogenic Human Coronaviruses Christopher A. Beaudoin, Arian R. Jamasb, Ali F. Alsulami, Liviu Copoiu, Andries J. van Tonder, Sharif Hala, Bridget P. Bannerman, Sherine E. Thomas, Sundeep C. Vedithi, Pedro H. M. Torres, Tom L. Blundell.
Computational and Structural Biotechnology Journal

Utilising Graph Machine Learning within Drug Discovery and Development 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.
Briefings in Bioinformatics

SARS-CoV-2 3D database: Understanding the Coronavirus Proteome and Evaluating Possible Drug Targets Ali Alsulami*, Sherine Thomas*, Arian R. Jamasb*, Christopher Beaudoin*, Ismail Moghul*, Bridget Bannerman, Liviu Copoiu, Sundeep Vedithi*, Pedro Torres*, Tom Blundell.
Briefings in Bioinformatics

Complete Connectomic Reconstruction of Olfactory Projection Neurons in the Fly Brain. Alexander S. Bates*, Philipp Schlegel*, Ruairí J. V. Roberts, Nikolas Drummond, Imaan F. M. Tamimi, Robert G. Turnbull, Xincheng Zhao, Elizabeth C. Marin, Patricia D. Popovici, Serene Dhawan, Arian R. Jamasb, Alexandre Javier, Feng Li, Gerald M. Rubin, Scott Waddell, Davi D. Bock, Marta Costa, Gregory S. X. E. Jefferis.
Current Biology

Functional and Anatomical Specificity in a Higher Olfactory Centre. Shahar Frechter, Alexander S. Bates, Sina Tootoonian, Michael-John Dolan, James D. Manton, Arian R. Jamasb, Johannes Kohl, Davi Bock, Gregory S.X.E. Jefferis.
eLife

Ethoscopes: An open platform for high-throughput ethomics. Quentin Geissmann, Luis Garcia Rodriguez, Esteban J. Beckwith, Alice S. French, Arian R. Jamasb, Giorgio F. Gilestro.
PLOS Biology