Technologies / Application Certified Platforms / Schrodinger MD Compatible Systems

SCHRÖDINGER MD COMPATIBLE SYSTEMS

Desmond: High-Performance Molecular Dynamics Simulations for Biomolecular System

Many biological phenomena of scientific and pharmaceutical interest occur on time scales that are computationally demanding to simulate. A high-performance Molecular Dynamics code, together with continuously advancing computer hardware technologies, can be used to perform simulations on time scales that illuminate these important biological processes. Desmond, created by D. E. Shaw Research, provides an unprecedented combination of parallel scalability, simulation throughput, and scientific accuracy to achieve these goals.



Learn more: http://www.schrodinger.com/Desmond/

http://www.deshawresearch.com/resources_desmond.html (for non-commercial users)

DeepChem - Explore Drug Discovery with Deep Learning

DeepChem is a powerful new open source deep learning framework that offers a feature-rich set of functionality for applying deep learning to problems in drug discovery and cheminformatics.



» Click here to learn more about DeepChem

Accelerating MD Simulations with NVIDIA GPUs

GPU computing has been widely used to accelerate compute-intensive simulations and push the boundaries of discovery. The multi-core platform of NVIDIA® Tesla® GPU provides the computational power far outpacing that of the typical CPU. Scientists and developers can access supercomputer scale performance to run later systems, more system or longer simulation timeframes.



Exxact Corporation teams up with Schrödinger to design a series of GPU computing systems that provide optimum price performance for Desmond and FEP+ users.

Schrödinger MD and FEP+ Compatible System Highlights

  • Designed to meet the requirements for Molecular Dynamics GPU Computing or highly complex Free Energy Perturbation (FEP) calculations
  • Optimized to meet or exceed the published performance numbers
  • Preinstalled Desmond GPU computing solutions, designed in collaboration with Schrödinger
  • Save time from installing, optimizing, and validating
  • Fully customizable to meet your budget

We enjoy a close relationship with Exxact - especially their sales and support teams. We partner with them not only for GPU workstations and to power our in house GPU cluster, but also to test and validate next generation GPU hardware. Our computational demands are growing exponentially and Exxact has consistently provided reliable systems and expertise.

- Shane Brauner, IT Director , Schrödinger

NVIDIA CUDA-enabled GPU Accelerators offer computational chemists and biologists significantly higher simulation performance when compared to CPUs. As an NVIDIA Elite Solution Provider, Exxact Corporation has designed a series of GPU systems that are compatible and optimized for life science applications, such as Schrödinger’s Desmond. Researchers can benefit from a range of system configurations with preinstalled applications that are ready to tackle the most compute-intensive scientific tasks right out of the box.

- Mark Berger, Senior Alliance Manager, Life & Material Sciences, NVIDIA Corporation

Exxact Tensor TS1-1595479-SMD 1U 2x Intel Xeon Scalable Family - Schrödinger MD Compatible System
MPN: TS1-1595479-SMD
  • Rack Height: 1U
  • Processor Supported: 2x Intel Xeon Scalable family
  • Drive Bays: 2x 2.5" Hot-Swap, 2x 2.5" Internal
  • Supports up to 4x NVIDIA Tesla V100 SXM2
Contact sales for pricing
Exxact Tensor TS1-1595769-SMD 1U 2x Intel Xeon E5-2600 v3/v4 - Schrödinger MD Compatible System
MPN: TS1-1595769-SMD
  • Rack Height: 1U
  • Processor Supported: 2x Intel E5-2600 v3/v4
  • Drive Bays: 2x 2.5" Hot-Swap, 2x 2.5" Internal
  • Supports up to 4x NVIDIA Tesla V100 SXM2
Contact sales for pricing
Exxact Tensor TS1-185917-SMD 1U 2x Intel Xeon processor server - Schrödinger MD Compatible System
MPN: TS1-185917-SMD
  • Rack Height: 1U
  • Processor Supported: 2x Intel Xeon E5-2600 v3/v4
  • Coprocessors: Up to 4x NVIDIA Tesla P100 SXM2
  • Schrödinger MD Compatible System
Contact sales for pricing
Exxact Tensor TS1-672696-SMD 1U 2x Intel Xeon Scalable processor - Schrödinger MD Compatible System
MPN: TS1-672696-SMD
  • Rack Height: 1U
  • Processor Supported: 2x Intel Xeon Scalable family
  • Drive Bays: 2x 2.5" Hot-Swap, 2x 2.5" Internal
  • Supports up to 4x NVIDIA Tesla P100 SXM2
Contact sales for pricing
Exxact Tensor TS2-198767-SMD 2U 2x Intel Xeon processor server - Schrödinger MD Compatible System
MPN: TS2-198767-SMD
  • Rack Height: 2U
  • Processor Supported: 2x Intel E5-2600 v3/v4
  • Drive Bays: 8x 3.5" Hot-Swap
  • Supports up to 4x NVIDIA Tesla GPUs
Contact sales for pricing
Exxact Tensor TS2-673917-SMD 2U 2x Intel Xeon processor server - Schrödinger MD Compatible System
MPN: TS2-673917-SMD
  • Rack Height: 2U
  • Processor Supported: 2x Intel Xeon Scalable Family
  • Drive Bays: 8x 3.5" Hot-Swap (2x NVMe)
  • Supports up to 4x Double-Wide cards
Contact sales for pricing
Exxact Tensor TS4-1542141-SMD 4U 2x Intel Xeon processor server - Schrödinger MD Compatible System
MPN: TS4-1542141-SMD
  • Rack Height: 4U
  • Processor Supported: 2x Intel E5-2600 v3/v4
  • Drive Bays: 16x 2.5" Hot-Swap (8x NVMe)
  • Supports up to 8x NVIDIA Tesla V100 SXM2 GPUs
Contact sales for pricing
Exxact Tensor TS4-1686449-SMD 4U 2x Intel Xeon processor server - Schrödinger MD Compatible System
MPN: TS4-1686449-SMD
  • Rack Height: 4U
  • Processor: 2x Intel Xeon Scalable family
  • Drive Bays: 16x 2.5" Hot-Swap (8x NVMe)
  • Supports up to 8x NVIDIA Tesla V100 SXM2 GPUs
Contact sales for pricing
Exxact Tensor TS4-1686564-SMD 4U 2x Intel Xeon processor server - Schrodinger MD compatible system
MPN: TS4-1686564-SMD
  • Form Factor: 4U Rackmountable / Tower
  • Processor: 2x Intel Xeon Scalable family
  • Drive Bays: 4x 3.5"/2.5" Hot-Swap
  • Up to 5x Double-Wide cards
Contact sales for pricing
Exxact Tensor TS4-264546-SMD 4U 2x Intel Xeon processor server - Schrodinger MD compatible system
MPN: TS4-264546-SMD
  • Rack Height: 4U
  • Processor Supported: 2x Intel E5-2600 v3/v4
  • Drive Bays: 24x 2.5" Hot-Swap
  • Supports up to 10x Double-Wide cards in a Single Root Complex
Contact sales for pricing
Exxact Tensor TS4-264553-SMD 4U 2x Intel Xeon processor server - Schrodinger MD compatible system
MPN: TS4-264553-SMD
  • Rack Height: 4U
  • Total Processor Supported: 2
  • Processor Supported: E5-2600 v3/v4
  • Schrodinger MD Compatible System
Contact sales for pricing
Exxact Tensor TS4-264555-SMD 4U 2x Intel Xeon processor server - Schrodinger MD compatible system
MPN: TS4-264555-SMD
  • Rack Height: 4U
  • Processor Supported: 2x Intel E5-2600 v3/v4
  • Drive Bays: 16x 2.5" Hot-Swap (8x NVMe)
  • Supports up to 8x NVIDIA Tesla P100 SXM2 GPUs
Contact sales for pricing
Exxact Tensor TS4-264556-SMD 4U 2x Intel Xeon processor server - Schrodinger MD compatible system
MPN: TS4-264556-SMD
  • Rack Height: 4U
  • Processor Supported: 2x Intel E5-2600 v3/v4
  • Drive Bays: 16x 2.5" Hot-Swap (8x NVMe)
  • Supports 10GBASE-T and up to 8x NVIDIA Tesla P100 SXM2 GPUs
Contact sales for pricing
Exxact Tensor TS4-264563-SMD 4U 2x Intel Xeon processor server - Schrodinger MD compatible system
MPN: TS4-264563-SMD
  • Rack Height: 4U
  • Processor Supported: 2x Intel E5-2600 v3/v4
  • Drive Bays: 8x 3.5" Hot-Swap
  • Supports up to 4x Double-Wide GPUs
Contact sales for pricing
Exxact Tensor TS4-672511-SMD 4U 2x Intel Xeon processor server - Schrodinger MD compatible system
MPN: TS4-672511-SMD
  • Rack Height: 4U
  • Processor Supported: 2x Intel Xeon Scalable Family
  • Drive Bays: 8x 3.5" Hot-Swap
  • Supports up to 4x Double-Wide GPUs
Contact sales for pricing