-
Article
Open AccessRNA contact prediction by data efficient deep learning
On the path to full understanding of the structure-function relationship or even design of RNA, structure prediction would offer an intriguing complement to experimental efforts. Any deep learning on RNA struc...
-
Chapter and Conference Paper
Massively Parallel Genetic Optimization Through Asynchronous Propagation of Populations
We present Propulate, an evolutionary optimization algorithm and software package for global optimization and in particular hyperparameter search. For efficient use of HPC resources, Propulate omits the synchroni...
-
Article
Open AccessDynamic particle swarm optimization of biomolecular simulation parameters with flexible objective functions
Molecular simulations are a powerful tool to complement and interpret ambiguous experimental data on biomolecules to obtain structural models. Such data-assisted simulations often rely on parameters, the choic...
