SCHRÖDINGER MS COMPATIBLE SYSTEMS


Schrödinger Materials Science Suite and Desmond MD Compatible System Highlights

Designed to meet the most demanding MS workloads including; EOS calculations and thermophysical properties, solubility parameters and explicit mixing simulations, elastic constants, and mechanical properties, etc.

EXPERT DESIGNED

Designed to meet the workflow requirements for Desmond GPU MD Computing and Schrödinger Materials Science Suite MD.


FULLY CUSTOMIZABLE

Exxact offers a wide range of customizable Schrödinger MS solutions from workstations to clusters to meet your budget.


PLUG AND PLAY

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


HIGH PERFORMANCE

Schrödinger MS servers and workstations optimized to meet or exceed the published performance numbers


PREINSTALLED

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 MS 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 SOFTWARE STACK

Canvas, Desmond, KNIME Extensions, MacroModel, Maestro, MOPAC2012, MS Combi, MS Jaguar, OPLS3, Quantum ESPRESSO Interface

Not Sure What You Need?


Let us know what kind of project you have
planned and we can help you decide.


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Exxact Server

Accelerating Materials Science Simulation with NVIDIA GPUs

GPU computing has been widely used to accelerate compute intensive simulations and push the boundaries of analysis and discovery. The manycore platform of NVIDIA® Tesla® GPUs provides the computational power far outpacing that of the typical CPU. Scientists and engineers can achieve supercomputer scale performance from their own desktop or HPC/data center to run larger systems, many more systems or for longer simulation timeframes.

FEP+ Performance: Pertubations/Day/Card

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.


» NON COMMERCIAL USER?

DeepChem: Explore Drug Discovery with Deep Learning


Deep Chem 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.

Exxact TensorEX TS1-1595479-SMS 1U 2x Intel Xeon Scalable Family - Schrödinger MS Compatible System
MPN: TS1-1595479-SMS
Contact sales for pricing
Exxact TensorEX TS1-1595769-SMS 1U 2x Intel Xeon E5-2600 v3/v4 - Schrödinger MS Compatible System
MPN: TS1-1595769-SMS
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Exxact TensorEX TS1-185917-SMS 1U 2x Intel Xeon processor server - Schrödinger MS Compatible System
MPN: TS1-185917-SMS
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Exxact TensorEX TS1-672696-SMS 1U 2x Intel Xeon Scalable CPU - Schrödinger MS Compatible System
MPN: TS1-672696-SMS
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Exxact TensorEX TS4-1542141-SMS 4U 2x Intel Xeon processor - Schrödinger MS Compatible System
MPN: TS4-1542141-SMS
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Exxact TensorEX TS4-1686449-SMS 4U 2x Intel Xeon processor - Schrödinger MS Compatible System
MPN: TS4-1686449-SMS
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Exxact TensorEX TS4-1686564-SMS 4U 2x Intel Xeon processor - Schrodinger MS compatible system
MPN: TS4-1686564-SMS
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Exxact TensorEX TS4-264555-SMS 4U 2x Intel Xeon processor server - Schrodinger MS compatible system
MPN: TS4-264555-SMS
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Exxact TensorEX TS4-264556-SMS 4U 2x Intel Xeon processor server - Schrodinger MS compatible system
MPN: TS4-264556-SMS
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Exxact TensorEX TS4-264563-SMS 4U 2x Intel Xeon processor server - Schrodinger MS compatible system
MPN: TS4-264563-SMS
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Exxact TensorEX TS4-672511-SMS 4U 2x Intel Xeon processor server - Schrodinger MS compatible system
MPN: TS4-672511-SMS
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Exxact TensorEX TS4-672706-SMS 4U 2x Intel Xeon processor server - Schrodinger MS compatible system
MPN: TS4-672706-SMS
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Exxact TensorEX TWS-1686525-SMS 2x Intel Xeon processor - Schrodinger MS compatible system
MPN: TWS-1686525-SMS
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Exxact TensorEX TWS-289061-SMS 2x Intel Xeon processor - Schrodinger MS compatible system
MPN: TWS-289061-SMS
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Exxact TensorEX TWS-773645-SMS 2x Intel Xeon processor - Schrodinger MS compatible system
MPN: TWS-773645-SMS
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Exxact Valence VWS-1690441-SMS 1x Intel Xeon processor - Schrodinger MS compatible system
MPN: VWS-1690441-SMS
Contact sales for pricing