NAMD Simulations & VMD Visualization GPU Workstations & Servers

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GPU-Accelerated MD

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

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Platform Flexibility

Every GPU system we build is customized for each customer, and cross-compatible with many popular MD simulation suites.

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Do More Science!

Exxact systems are fully validated and tested, built to the highest standards, and ships with a standard 3 year warranty.

GPU Workstations Optimized for NAMD & VMD

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Dual GPU AMD Ryzen 9000X/7000XWorkstation

VWS-172109266

Highlights
CPU1x AMD Ryzen 9000X/7000X
GPUUp to 2x NVIDIA RTX PRO 6000 Blackwell Max-Q, RTX 5080, and more.
MEM4x DDR5 (Up to 128 GB)
STO3x M.2 + 8x Internal Drives
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Quad GPU AMD Threadripper PRO 9000WX/7000WXWorkstation

VWS-135223847

Highlights
CPU1x AMD Ryzen Threadripper PRO 9000WX/7000WX
GPUUp to 4x NVIDIA RTX PRO 6000 Blackwell or 2x RTX 5090/5080, and more
MEM8x DDR4 ECC (Up to 1TB)
STO2x M.2 + 8x Internal Drives
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Quad GPU Dual 4th/5th Gen 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)
STO2x M.2 + 8x 3.5" Hot-Swap

Multi-GPU Servers Optimized for NAMD & VMD

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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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10x GPU Dual AMD EPYC 9005/9004 4UServer

TS4-130227231

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)
STO16x 2.5" NVMe Hot-Swap
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10x GPU Dual Intel Xeon 6700E 4UServer

TS4-152232257

Highlights
CPU2x Intel Xeon 6700E
GPUUp to 10x NVIDIA H200 NVL, RTX PRO 6000 Blackwell, and more
MEM32x DDR5 ECC (Up to 4TB)
STO18x 2.5" Hot-Swap
namd gpu graph

GPU-Powered NAMD Solutions Significantly Reduce Time to Solution

Breakthroughs in GPU Acceleration for High-Performance Computing (HPC) have yielded rapid advancements in Molecular Dynamics (MD). Scaling multiple GPUs for NAMD simulations introduces a high degree of parallelism for calculating forces, enabling performance level increases of up to 600% versus running CPU only.

System Specs: Intel Xeon W-3945X (56 Cores) 4.8GHz CPU, 512GB DDR5, 1.92TB M.2 NVMe SSD

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.

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Build your ideal system

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

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