The development and validation of computational macromolecular modeling and design
methods depend on suitable benchmark datasets and informative metrics for comparing …

Motivation The rational design of biomolecules is becoming a reality. However, further
computational tools are needed to facilitate and accelerate this, and to make it accessible to …

The Rosetta software for macromolecular modeling, docking and design is extensively used
in laboratories worldwide. During two decades of development by a community of …

Macromolecular modeling and design are increasingly useful in basic research,
biotechnology, and teaching. However, the absence of a user-friendly modeling framework …

We present osprey 3.0, a new and greatly improved release of the osprey protein design
software. Osprey 3.0 features a convenient new Python interface, which greatly improves its …

Many scientific disciplines rely on computational methods for data analysis, model
generation, and prediction. Implementing these methods is often accomplished by …

Prediction of protein structures from sequences is a fundamental problem in computational
biology. Algorithms that attempt to predict a structure from sequence primarily use two …

PyRosetta is a stand-alone Python-based implementation of the Rosetta molecular
modeling package that allows users to write custom structure prediction and design …

Each year vast international resources are wasted on irreproducible research. The scientific
community has been slow to adopt standard software engineering practices, despite the …

Modern biotechnical research is becoming increasingly reliant on computational structural
modeling programs to develop novel solutions to scientific questions. Rosetta is one such …