|
The purpose of this NSF-funded project is to develop a software tool to accelerate analysis of molecular dynamics simulation data. This software tool will be data-driven in nature, using training data obtained from targeted molecular dynamics simulations. The main challenge of the project is to develop a software workflow and machine learning approach that is flexible and extensible, so that additional analysis capabilities can be continuously added. The summer intern on this project would explore the performance of a variety a data-driven classification techniques, such as random forests, support vector machines, and neural networks, on chosen molecular dynamics analysis tasks.
|
Sign in
to view more information about this project.
