NAG: More GPU Routines for Drug Discovery Research

Pharmaceutical developers involved in Deoxyribonucleic Acid (DNA) sequencing and dynamic molecular modeling for drug discovery who are interested in achieving performance from Graphical Processing Units (GPUs) in diverse applications using Monte Carlo simulations can obtain an updated version of NAG numeric routines for GPUs from the Numerical Algorithms Group (NAG).

General Purpose GPUs were originally used for 3D gaming acceleration on personal computers but have recently been at the forefront of numerical and scientific computation. Monte Carlo simulations are used in a wide array of technical computing applications in diverse areas such as drug discovery and scientific research.

The numerical routines for GPU computing are available to academic researchers involved in collaborative research with the NAG organization. Commercial organizations can also get access to GPU code and programming services by contacting the NAG offices in their locale

The latest release of the code for GPUs contains routines for Monte Carlo simulations – Quasi and Pseudo Random Number Generators, Brownian bridge, and associated statistical distributions.