Accelerate GROMACS Molecular Dynamics

GROMACS Certified GPU Workstations & Servers

value propositon

GPU Accelerated GROMACS

Exxact features the latest GPU hardware. Accelerate GROMACS MD tasks with NVIDIA H100, L40S, RTX 6000/5000/4500 Ada, RTX 4090/4080 and more.

value propositon

Pre-Configured

Includes example job submission scripts, benchmarks, a fully validated test suite, and the latest software patches delivered with an industry professional's expertise.

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Do More Science!

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

GPU Powered GROMACS Servers and Workstations Can Significantly Reduce Time to Solution

gromacs gpu graph pme
gromacs gpu graph rf

GROMACS GPU Workstations for Ease of Use

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AMD Ryzen 7000 Series Dual GPUWorkstation

VWS-197021938

Starting at

$4,301.00

Highlights
CPU1x AMD Ryzen 7000 Series Processor
GPUUp to 2x NVIDIA RTX 6000/5000/4500 Ada, 1x RTX 4090/4080, and more
MEM32GB DDR4 Memory [Up to 128GB]
STO3x M.2 + 6x 3.5" + 2x2.5" Internal Drives
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AMD Threadripper PRO Quad GPUWorkstation

VWS-148320247

Starting at

$7,326.00

Highlights
CPU1x AMD Ryzen Threadripper PRO 5000WX
GPUUp to 4x NVIDIA RTX 6000/5000/4500 Ada, 2x RTX 4090/4080, and more
MEM128GB DDR4 ECC (Up to 1TB)
STO2x M.2 + 6x 3.5" + 2x 2.5" Internal Drives
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Dual Xeon Scalable Multi-GPUWorkstation

TWS-115999024

Starting at

$9,649.20

Highlights
CPU2x 3rd Gen Intel Xeon Scalable Series
GPUUp to 4x NVIDIA RTX 6000, 5000, 4500 Ada, and more
MEM256GB DDR4 ECC (Up to 2TB)
STO8x 3.5" Hot-swap + 2x M.2 Slots

GROMACS Multi-GPU Servers for Large Simulations

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Quad GPU Intel Xeon Scalable 2UServer

TS2-197278655

Starting at

$7,977.20

Highlights
CPU2x 3rd Gen Intel Xeon Scalable CPUs
GPUUp to 10x Double-Wide GPUs: NVIDIA H100, or RTX 6000, 5000, 4500 Ada, & more.
MEM16 DDR4 ECC DIMM Slots (Up to 2TB)
STO8x 3.5" Hot Swap
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8x GPU Dual AMD EPYC 4UServer

TS4-194492555

Starting at

$12,567.50

Highlights
CPU2x AMD EPYC 7003/7003X CPUs
GPUUp to 8x Double-Wide GPUs: NVIDIA H100, or RTX 6000, 5000, 4500 Ada, & more.
MEM32 DDR4 ECC DIMM Slots (Up to 4TB)
STO8x 3.5" Hot-swap
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10x GPU Dual Intel Xeon Scalable 4UServer

TS4-114018381

Starting at

$12,771.00

Highlights
CPU2x 3rd Gen Intel Xeon Scalable CPUs
GPUUp to 10x Double-Wide GPUs: NVIDIA H100, or RTX 6000, 5000, 4500 Ada, & more.
MEM32x DIMM Slots DDR4 ECC (up to 8TB)
STO12x 3.5" Hot-Swap Drive
Unprecendented scientific advancements

AI Accelerated Life Science Discoveries

Powerful computers are using AI and Deep Learning to reach new heights in scientific discovery by automating molecular imaging, simulating molecular tendencies, sequencing extensive genomes, and predicting protein structures.

md software
Molecular Dynamics Software

Precise Tools for Precise Research

Gain peace of mind knowing that your system is ready for research the moment it's turned on. Each Exxact system goes through extensive validating and optimizing procedures before being shipped out. We pride ourselves on delivering turnkey solutions so you can spend less time configuring and more time researching.

Looking for software not mentioned here?

Our Systems Facilitate Any Stage of Research

1. Data Preparation


Data Preparation

1. Data Preparation


Exxact's CryoEM stack features a full suite of tools such as Motioncor, CTFFIND/Gctf and more for Relion reconstructions.

2. 2D Image Processing and 3D Reconstruction


2D Image Processing and 3D Reconstruction

2. 2D Image Processing and 3D Reconstruction


CryoSPARC Relion

3. Create PBD Outputs and Classifications


 Create PBD Outputs and Classifications

3. Create PBD Outputs and Classifications


UCSF Chimera Scipion

4. Obtain Structure Files and Prepare Simulation Environment


Obtain Structure Files and Prepare Simulation Environment

4. Obtain Structure Files and Prepare Simulation Environment


QwikMD CHARMM-GUI

5. Conduct Simulation


6. Analysis and Visualization


Analysis and Visualization

6. Analysis and Visualization


UCSF Chimera Schrodinger VMD

Build your ideal system

Need a bit of help? Contact our sales engineers directly.

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