MDFF-EnTK

This project is to address the effectiveness of adaptive sampling compared to traditional MDFF approach in calculating cross co-relation at various resolutions. Latest updates on NAMD with CUDA support is used to gain significant performance improvement.

• source code: https://github.com/radical-collaboration/MDFF-EnTK/

• experiments: https://github.com/radical-experiments/MDFF-EnTK

• collaborator: Arizona State University
• Field: Biophysics