Framework for modified sampling from biomolecular generative models

Tools for working with hierarchical heterogeneity mmcif models

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

Analysis notebooks for project diffUSE

An package for conveying and transforming information about proteins--ensembles, structures, and measurements. A joint project of Radial Science and Reciprocal Spaceship

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