Jamasb, Arian Rokkum

14 publications

TMLR 2025 RNA-FrameFlow: Flow Matching for De Novo 3D RNA Backbone Design Rishabh Anand, Chaitanya K. Joshi, Alex Morehead, Arian Rokkum Jamasb, Charles Harris, Simon V Mathis, Kieran Didi, Rex Ying, Bryan Hooi, Pietro Lio

ICLR 2025 gRNAde: Geometric Deep Learning for 3D RNA Inverse Design Chaitanya K. Joshi, Arian Rokkum Jamasb, Ramon Viñas Torné, Charles Harris, Simon V Mathis, Alex Morehead, Rishabh Anand, Pietro Lio

ICMLW 2024 Ensemble Guidance: Towards Generative 3D SBDD in Bioactive Chemical Spaces Charles Harris, Arian Rokkum Jamasb, Pietro Lio, Tom Leon Blundell

ICLR 2024 Evaluating Representation Learning on the Protein Structure Universe Arian Rokkum Jamasb, Alex Morehead, Chaitanya K. Joshi, Zuobai Zhang, Kieran Didi, Simon V Mathis, Charles Harris, Jian Tang, Jianlin Cheng, Pietro Lio, Tom Leon Blundell

ICMLW 2024 RNA-FrameFlow for De Novo 3D RNA Backbone Design Rishabh Anand, Chaitanya K. Joshi, Alex Morehead, Arian Rokkum Jamasb, Charles Harris, Simon V Mathis, Kieran Didi, Bryan Hooi, Pietro Lio

ICMLW 2024 RNA-FrameFlow for De Novo 3D RNA Backbone Design Rishabh Anand, Chaitanya K. Joshi, Alex Morehead, Arian Rokkum Jamasb, Charles Harris, Simon V Mathis, Kieran Didi, Bryan Hooi, Pietro Lio

ICML 2024 Structure-Based Drug Design by Denoising Voxel Grids Pedro O. Pinheiro, Arian Rokkum Jamasb, Omar Mahmood, Vishnu Sresht, Saeed Saremi

ICLRW 2023 Flexible Small-Molecule Design and Optimization with Equivariant Diffusion Models Charles Harris, Kieran Didi, Arne Schneuing, Yuanqi Du, Arian Rokkum Jamasb, Michael M. Bronstein, Bruno Correia, Pietro Lio, Tom Leon Blundell

ICLR 2023 Protein Representation Learning by Geometric Structure Pretraining Zuobai Zhang, Minghao Xu, Arian Rokkum Jamasb, Vijil Chenthamarakshan, Aurelie Lozano, Payel Das, Jian Tang

ICLRW 2022 Decoding Surface Fingerprints for Protein-Ligand Interactions Ilia Igashov, Arian Rokkum Jamasb, Ahmed Sadek, Freyr Sverrisson, Arne Schneuing, Tom Blundell, Pietro Lio, Michael M. Bronstein, Bruno Correia

ICMLW 2022 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 Rokkum Jamasb, Julius Schwartz, Austin Tripp, Gregory Kell, Anthony Bourached, Alex Chan, Jacob Moss, Chengzhi Guo, Alpha Lee, Philippe Schwaller, Jian Tang

ICMLW 2022 Graphein - A Python Library for Geometric Deep Learning and Network Analysis on Biomolecular Structures and Interaction Networks Arian Rokkum Jamasb, Ramon Viñas Torné, Eric J Ma, Yuanqi Du, Charles Harris, Kexin Huang, Dominic Hall, Pietro Lio, Tom Leon Blundell

ICLRW 2022 Message Passing Neural Processes Cătălina Cangea, Ben Day, Arian Rokkum Jamasb, Pietro Lio

ICMLW 2022 Protein Representation Learning by Geometric Structure Pretraining Zuobai Zhang, Minghao Xu, Arian Rokkum Jamasb, Vijil Chenthamarakshan, Aurelie Lozano, Payel Das, Jian Tang