Schrödinger MD Workstations & Servers

Schrödinger Desmond GPU computing solutions from Exxact, engineered in collaboration with Schrödinger.

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Expertly Engineered

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

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FULLY CUSTOMIZABLE

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

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Plug and Play

Exxact workstations and servers are fully turnkey, built to perform right out of the box so you avoid the errors of configuration and setup.

Solution image
Entry-Level
VWS-1690441-SMD

Base Specs
CPU1x Intel Xeon W
GPU1x NVIDIA Quadro/Tesla GPU
MEM4x 8GB Memory
STO1x 512GB SSD
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Mid-Range
TWS-115999024-SMD

Base Specs
CPU2x 3rd Gen Intel Xeon Scalable Processors
GPU4x NVIDIA Quadro/Tesla GPUs
MEM12x 8GB Memory
STO1x 512GB SSD (OS) 1x 4TB HDD (Data)
Solution image
High-End
TWS-115999024-SMD

Base Specs
CPU2x 3rd Gen Intel Xeon Scalable Processors
GPU4x NVIDIA Quadro/Tesla GPUs
MEM12x 16GB Memory
STO1x 512GB SSD (OS) 1x 4TB HDD (Data)

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.

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.


schrodinger_MD-performance.png


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
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