Knowledge Base

Schrödinger supports GPU computation for Desmond MD, FEP+ and Watermap simulations on Linux platforms only. We utilize CUDA exclusively and support a selection of NVIDIA professional grade graphics cards. We do not offer Desmond versions on other GPU computation platforms such as AMD FireStream and OpenCL.

See the Platform Support page for details of our supported graphics cards.

See the MD Compatible Systems page for information about purchasing preconfigured and preinstalled servers and workstations for Desmond GPGPU and FEP+ computing.