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Found 5 papers, 1 papers with code
AbDiffuser: Full-Atom Generation of in vitro Functioning Antibodies
We introduce AbDiffuser, an equivariant and physics-informed diffusion model for the joint generation of antibody 3D structures and sequences.
Generalization within in silico screening
In silico screening uses predictive models to select a batch of compounds with favorable properties from a library for experimental validation.
Protein Discovery with Discrete Walk-Jump Sampling
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 Markov chain Monte Carlo (MCMC), and projecting back to the true data manifold with one-step denoising.
PropertyDAG: Multi-objective Bayesian optimization of partially ordered, mixed-variable properties for biological sequence design
Bayesian optimization offers a sample-efficient framework for navigating the exploration-exploitation trade-off in the vast design space of biological sequences.
Non-Negative Matrix Factorizations for Multiplex Network Analysis
Networks have been a general tool for representing, analyzing, and modeling relational data arising in several domains.
