High Performance Computing (HPC)

Tools & Technologies - in silico Drug Discovery

Icagen has built a state-of-the art high performance computing (HPC) capability consisting of both CPU and GPU based architectures. The CPU component includes three Linux clusters providing 650 high-speed cores and 20TB of dedicated high speed HPC storage. The GPU cluster was built on Nvidia K20 and K40 platforms consisting of 200,000 CUDA GPU cores providing over 280 TFlops (280 trillion floating point operations per second), which is a significant resource for running very long (microseconds) molecular dynamics simulations and binding affinity predictions using free energy perturbation calculations. In addition, Icagen has expertise and capabilities in tapping into cloud computing to augment these resources as needed.