Applications / Molecular Dynamics Solutions / Schrodinger MD Compatible Systems

SCHRÖDINGER MD COMPATIBLE SYSTEMS



Schrödinger MD and FEP+ Compatible System Highlights

EXPERT DESIGNED

To meet the requirements for Molecular Dynamics GPU Computing or highly complex Free Energy Perturbation (FEP) calculations



FULLY CUSTOMIZABLE

Offering a wide range of customizable options from workstations to clusters to meet your budget.



PLUG AND PLAY

Exxact Schrödinger GPU systems are fully turnkey, built to perform right out of the box to save time from installing, optimizing, and validating.



HIGH PERFORMANCE

Workstations and Servers optimized to meet or exceed the published performance numbers



PREINSTALLED

Schrödinger Desmond GPU computing solutions, designed in collaboration with Schrödinger.



SLURM WORKLOAD MANAGER

For workload scheduling & queuing so multiple researchers can submit jobs that run when resources are available.



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

Suggested Schrödinger MD Systems



Entry-Level

Valence Workstation

1x Intel Core i9-7900X
2x NVIDIA Quadro/Tesla GPUs
4x 8GB DDR4 Memory
1x 512GB SSD



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Mid-Range

Tensor Workstation

2x Intel Xeon Gold 5118
4x NVIDIA Quadro/Tesla GPUs
12x 8GB DDR4 Memory
1x 512GB SSD (OS)

1x 4TB HDD (Data)

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High-End

Tensor Workstation

2x Intel Xeon Gold 5120
4x NVIDIA Quadro/Tesla GPUs
12x 16GB DDR4 Memory
1x 512GB SSD (OS)

1x 4TB HDD (Data)

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START YOUR ORDERClick for Details

Schrödinger GPU Accelerated 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.

Molecular Dynamics Performance: Single GPU ns/day







The Desmond and FEP+ performance numbers are intended to demonstrate RELATIVE performance across all supported cards for a specific system. THEY ARE NOT TO BE USED TO PREDICT ABSOLUTE Desmond or FEP+ THROUGHPUT ON ANY OTHER SYSTEM. Throughput will vary due to system size, perturbation type, simulation length, and other factors. For help estimating throughput on your systems please contact help@schrodinger.com

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.







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.



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
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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
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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