activity
20192024
most citedOpenProteinSet: Training data for structural biology at scale

15 citations · 67 across the 11 of their papers we have counts for

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Showing 2023Show all

5 papers · 1 filter

q-bio.GN2023

Blind Biological Sequence Denoising with Self-Supervised Set Learning

Nathan Ng, Ji Won Park, Jae Hyeon Lee +3

Biological sequence analysis relies on the ability to denoise the imprecise output of sequencing platforms. We consider a common setting where a short sequence is read out repeated…

q-bio.BM2023★ 15 cited

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…

q-bio.BM2023★ 5 cited

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…

cs.LG2023★ 6 cited

3D molecule generation by denoising voxel grids

Pedro O. Pinheiro, Joshua Rackers, Joseph Kleinhenz +6

We propose a new score-based approach to generate 3D molecules represented as atomic densities on regular grids. First, we train a denoising neural network that learns to map from…

cs.LG2023★ 1 cited

BOtied: Multi-objective Bayesian optimization with tied multivariate ranks

Ji Won Park, Nataša Tagasovska, Michael Maser +2

Many scientific and industrial applications require the joint optimization of multiple, potentially competing objectives. Multi-objective Bayesian optimization (MOBO) is a sample-e…