DeepAutoQSAR

System Requirements

NOTE: Available on Linux only. See System Requirements for Linux.

Architecture	Server / HPC	Workstation
Volta	Tesla V100
Turing	Tesla T4	Quadro RTX 5000
Ampere	A100	RTX A4000 RTX A5000
Ada Lovelace	L4	RTX 4000 Ada RTX 2000 Ada
Hopper	H100
Blackwell	B200 (SXM)	RTX PRO 6000 Blackwell RTX PRO 4000 Blackwell

Unless otherwise specified, we only support and test on the PCIe variant of the cards listed above.
All form factors and editions (SFF, Workstation, Server, etc.) of listed GPU models are supported unless explicitly noted.
Please note that published Desmond performance data for supported cards / FEP+ performance data for supported cards performance benchmarks were conducted using a specific GPU edition and that actual performance may vary depending on the hardware variant.
To check the compute capability of NVIDIA cards, see NVIDIA CUDA GPU Compute Capability.

Schrödinger's Desmond GPU-based products—including Desmond, WaterMap, and FEP+—utilize a token-based licensing model scaled by the computational power (CUDA cores) of the underlying hardware. A 2026 update simplifies the previous decimal-based system by rounding the tokens in a more standardized fashion. See License Usage per GPU Calculator.

We support only the NVIDIA recommended / certified / production branch Linux drivers for these cards with minimum CUDA version 12.9. Download from NVIDIA's Drivers webpage.

We support NVIDIA’s Multi-Instance GPU (MIG) feature. Please make sure that MIG-enabled GPUs are being used in conjunction with a queueing system which supports this feature, see How do I make use of Multi-instance GPUs (MIG).

For information on pre-configured Schrödinger compatible GPU boxes see this article.

Pascal GPU Architecture Deprecation in 26-3: Support for all Pascal architecture GPU cards (Tesla P40, Tesla P100, and Quadro P5000) is deprecated starting in the 26-3 release. We still expect our software to run on this architecture until we upgrade to CUDA 13.
Volta GPU Architecture Deprecation & CUDA 13 upgrade: GPU compute nodes and workstations will need a CUDA 13.x compatible NVIDIA driver (>= 580.XX.YY) installed to run our GPU enabled products starting in release 27-1. As a result of this CUDA upgrade, support for all Volta architecture GPU cards (Tesla V100) will be deprecated in the 27-1 release.
Standard support does not cover consumer-level GPU cards such as GeForce GTX cards. Learn more about our rigorous validation process and why we exclusively support professional-grade NVIDIA hardware in this article.
If you already have another NVIDIA GPGPU and would like to know if we have experience with it, please contact our support at help@schrodinger.com.