3 papers
physics.bio-ph2025
Engineering Supercomputing Platforms for Biomolecular Applications
Robert Welch, Charles Laughton, Oliver Henrich +5
A range of computational biology software (GROMACS, AMBER, NAMD, LAMMPS, OpenMM, Psi4 and RELION) was benchmarked on a representative selection of HPC hardware, including AMD EPYC…
cs.LG2025
PERC: a suite of software tools for the curation of cryoEM data with application to simulation, modelling and machine learning
Beatriz Costa-Gomes, Joel Greer, Nikolai Juraschko +8
Ease of access to data, tools and models expedites scientific research. In structural biology there are now numerous open repositories of experimental and simulated datasets. Being…
cs.CV2025
Affinity-VAE: incorporating prior knowledge in representation learning from scientific images
Marjan Famili, Jola Mirecka, Camila Rangel Smith +8
Learning compact and interpretable representations of data is a critical challenge in scientific image analysis. Here, we introduce Affinity-VAE, a generative model that enables us…