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.


Suggested Schrödinger MD Systems


Entry-Level

Valence Workstation

VWS-1690441-SMD
1x Intel Core i9
2x NVIDIA Quadro/Tesla GPUs
4x 8GB Memory
1x 512GB SSD

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Mid-Range

Tensor Workstation

TWS-1686525-SMD
2x Intel Xeon Scalable Processors
4x NVIDIA Quadro/Tesla GPUs
12x 8GB Memory
1x 512GB SSD (OS)
1x 4TB HDD (Data)

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High-End

Tensor Workstation

TWS-1686525-SMD
2x Intel Xeon Scalable Processors
4x NVIDIA Quadro/Tesla GPUs
12x 16GB Memory
1x 512GB SSD (OS)
1x 4TB HDD (Data)

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START YOUR ORDERClick for Details

SCHRÖDINGER SOFTWARE STACK

AutoQSAR, Canvas, ConfGen, Core Hopping, CovDock, Desmond, e-Parmacophores, Epik, FEP+, Field-Based QSAR, Glide, Induced Fit, Jaguar, KNIME Extensions, LigPrep, MacroModel, Maestro, MOPAC2012, OPLS3, Phase, PLDB, Prime, PrimeX, Protein Preparation Wizard, QikProp, QM-Polarized Docking, QSite, Shape Screening, SiteMap, WaterMap

Not sure what you need?

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


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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.





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

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.


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MPN: TS4-264546-SMD
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MPN: TS4-264553-SMD
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MPN: TS4-264555-SMD
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MPN: TS4-264556-SMD
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MPN: TS4-264563-SMD
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MPN: TS4-672511-SMD
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MPN: TS4-672706-SMD
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MPN: TWS-1686525-SMD
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MPN: TWS-289061-SMD
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MPN: TWS-773645-SMD
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MPN: VWS-1690441-SMD
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MPN: VWS-264615-SMD
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