Title:
Omega and Rocs: Performance on SGI Altix Family of Servers

Author:
Dan Stevens
SGI

Abstract:
Effective implementation of virtual high-throughput screening (vHTS) is
dependent upon the coordination of sophisticated software with an
effective and reliable computational platform for running the software.
OpenEye's OMEGA, ROCS and EON are based on the principle that chemical
interactions are governed by shape and electrostatics, and are designed to
rapidly, reliably, and accurately quantify the shape and electrostatics of
a molecule for the purposes of lead discovery. In this talk, recent
benchmarks demonstrating the performance and scalability of Omega and Rocs
on SGI's Alitx family of servers will be discussed.