Knowledge Base

Does Schrödinger support GPGPU computation?

Several applications of the Schrödinger Suite can run on Nvidia GPUs on Linux platforms.

  • Desmond MD
  • FEP+
  • WaterMap
  • GPU Shape
  • AutoQSAR/DeepChem
  • Active Learning Glide
  • IFD-MD

See the Supported Platform page for details of the supported graphics cards and recommended driver versions.

For preconfigured servers and workstations, check the MD Compatible Systems page.

To ask a question or get help, please submit a support ticket or email us at

Back To Top