The Molecular Modeling Toolkit is a library that implements common molecular simulation techniques, with an emphasis on biomolecular simulations. It uses modern software engineeri...
Scientists today conduct new research via software-based experimentation and validation in a host of disciplines, including materials science, life sciences, astronomy, and physic...
David Woollard, Chris Mattmann, Daniel Popescu, Ne...
One of the major problems in building large-scale distributed systems is to anticipate the performance of the eventual solution before it has been built. This problem is especiall...
Yan (Jenny) Liu, Ian Gorton, Anna Liu, Shiping Che...
Modern software codebases are frequently large, heterogeneous, and constantly evolving. The languages and tools for software construction, including code builds and configuration m...
Science disciplines are experiencing a data avalanche. As a result, scientific research is limited by data analysis and visualization capabilities. We have been working closely wi...
Kai Li, Matthew A. Hibbs, Grant Wallace, Olga G. T...