GPU Workstations & Servers Optimized for GROMACS

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GPU-Accelerated GROMACS

Accelerate GROMACS MD tasks with the latest NVIDIA GPUs, such as H100, L40S, RTX PRO 6000 Blackwell, RTX 50-Series and more.

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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 & 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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4x GPU Intel Xeon W-3500X/3400XWorkstation

VWS-107355433

Highlights
CPU1x Intel Xeon W-3500X/3400X
GPUUp to 4x RTX PRO 6000 Blackwell or 2x RTX 5090/5080, and more
MEM8x DDR5 ECC (Up to 1TB)
STO3x M.2 + 7x Internal Drives
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4x GPU AMD Threadripper PRO 9000WX/7000WXWorkstation

VWS-135223847

Highlights
CPU1x AMD Ryzen Threadripper PRO 9000WX/7000WX
GPUUp to 4x RTX PRO 6000 Blackwell or 2x RTX 5090/5080, and more
MEM8x DDR5 ECC (Up to 1TB)
STO3x M.2 + 7x Internal Drives
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4x GPU Dual Intel Xeon ScalableRackmountable

TWS-154715021

Highlights
CPU2x 4th/5th Gen Intel Xeon Scalable
GPUUp to 4x NVIDIA H100 NVL, RTX PRO 6000 Blackwell, and more
MEM16x DDR5 ECC (Up to 2TB)
STO8x 3.5" Hot-Swap

GROMACS Multi-GPU Servers for Large Simulations

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4x GPU 4th/5th Gen Intel Xeon Scalable 2UServer

TS2-100183160

Highlights
CPU2x 4th/5th Gen Intel Xeon Scalable
GPUUp to 4x NVIDIA H100 NVL, RTX PRO 6000 Blackwell, and more
MEM16x DDR5 ECC (Up to 2TB)
STO4x 3.5" + 2x 2.5" Hot-Swap
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8x GPU Dual AMD EPYC 9005/9004 4UServer

TS4-185599419

Highlights
CPU2x AMD EPYC 9005/9004
GPUUp to 8x Double-Wide GPUs: NVIDIA H200 NVL, RTX PRO 6000 Blackwell, and more
MEM24x DDR5 ECC (Up to 3TB)
STO24x 2.5" Hot-Swap (20x SATA, 4x NVMe)
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10x GPU Dual AMD EPYC 9005/9004 4UServer

TS4-130227231

Highlights
CPU2x AMD EPYC 9005/9004
GPUUp to 10x Double-Wide GPUs: NVIDIA H200 NVL, RTX PRO 6000 Blackwell, and more
MEM24x DDR5 ECC (Up to 3TB)
STO16x 2.5" NVMe Hot-Swap
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

4. Obtain Structure Files and Prepare Simulation Environment


Obtain Structure Files and Prepare Simulation Environment

4. Obtain Structure Files and Prepare Simulation Environment


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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