diffUSE

Framework for modified sampling from biomolecular generative models

Lattice vibration model for diffuse scattering

Predicting water moelcule placements on protein surfaces using flow matching conditioned on learned protein structure embeddings.

Org-wide CI workflows (applied via organization ruleset)

a model to learn qFit multi conformer dynamics with an invariant backbone

Tools for working with hierarchical heterogeneity mmcif models