CMU 15-418/618 (Spring 2016) Final Project:
Optimal from an electron's reference frame: energy minimizing binding configurations
Jocelyn Sunseri

Project Proposal

Checkpoint Report

Final Report

Working Schedule

Week What I Plan To Do What I Actually Did
Apr 1-7Parallelize over ligands, reduce GPU register usageParallelize over ligands
Apr 8-14Move coordinate update to GPUFigured out why parallelizing over ligands was not scaling
Apr 15-21Finish coordinate update - parallelize torsion treein progress
Apr 22-28Parallelize line search 
Apr 29-May 5Finish anything that remains from previous weeks. Add in receptor flexibility if time. 

Working Log

[To be completed as the project progresses]