23 citations · 54 across the 14 of their papers we have counts for
4 papers · 1 filter
BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery
Peter St. John, Dejun Lin, Polina Binder +89
Artificial Intelligence models encoding biology and chemistry are opening new routes to high-throughput and high-quality in-silico drug development. However, their training increas…
Evaluating representation learning on the protein structure universe
Arian R. Jamasb, Alex Morehead, Chaitanya K. Joshi +8
We introduce ProteinWorkshop, a comprehensive benchmark suite for representation learning on protein structures with Geometric Graph Neural Networks. We consider large-scale pre-tr…
RNA-FrameFlow: Flow Matching for de novo 3D RNA Backbone Design
Rishabh Anand, Chaitanya K. Joshi, Alex Morehead +7
We introduce RNA-FrameFlow, the first generative model for 3D RNA backbone design. We build upon SE(3) flow matching for protein backbone generation and establish protocols for dat…
DEFT: Efficient Fine-Tuning of Diffusion Models by Learning the Generalised -transform
Alexander Denker, Francisco Vargas, Shreyas Padhy +7
Generative modelling paradigms based on denoising diffusion processes have emerged as a leading candidate for conditional sampling in inverse problems. In many real-world applicati…