457 citations · 514 across the 10 of their papers we have counts for
4 papers · 1 filter
OpenProteinSet: Training data for structural biology at scale
Gustaf Ahdritz, Nazim Bouatta, Sachin Kadyan +7
Multiple sequence alignments (MSAs) of proteins encode rich biological information and have been workhorses in bioinformatic methods for tasks like protein design and protein struc…
AbDiffuser: Full-Atom Generation of in vitro Functioning Antibodies
Karolis Martinkus, Jan Ludwiczak, Kyunghyun Cho +8
We introduce AbDiffuser, an equivariant and physics-informed diffusion model for the joint generation of antibody 3D structures and sequences. AbDiffuser is built on top of a new r…
Generalization within in silico screening
Andreas Loukas, Pan Kessel, Vladimir Gligorijevic +1
In silico screening uses predictive models to select a batch of compounds with favorable properties from a library for experimental validation. Unlike conventional learning paradig…
Protein Discovery with Discrete Walk-Jump Sampling
Nathan C. Frey, Daniel Berenberg, Karina Zadorozhny +10
We resolve difficulties in training and sampling from a discrete generative model by learning a smoothed energy function, sampling from the smoothed data manifold with Langevin Mar…