Molecular Dynamics Workstations and Servers

To Make the Next Breakthrough, You'll Need a System That Can Keep Pace.

  • Systems built to run multiple packages interchangeably from 3D structure, to simulation, to visualization and more.
  • Systems can be customized to any budget with a wide array of GPU, Storage, and I/O options.
  • Performance built to meet or exceed industry benchmarks on popular frameworks.
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The Top Institutions Use Our MD Systems

Customized MD Systems: Any Size, Any Scale

A Valuable Research Tool

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GPU-powered desktop systems that enable individual researchers, or small teams, to run longer simulations and create 3D structures.

  • Single Users
  • Simple Models

Multi-User Scheduling

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Rackmountable server recommended for small teams, or research departments, that accelerates compute times for large complexes.

  • MD Teams
  • Complex Models

High Performance Simulations at Scale

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Tightly integrated HPC compute and storage that can quickly integrate into existing IT infrastructure, empowering large research organizations and enterprises.

  • Institutions
  • Multifaceted Large Simulations

Molecular Dynamics Software

Precise Research Requires Precise Tools

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?

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Our Systems Facilitates Any Stage of Research

Data Preparation

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

2D Image Processing and 3D Reconstruction


Create PBD Outputs and Classifications

UCSF Chimera

Obtain Structure Files and Prepare Simulation Environment


Find Out More About How Our Systems Help You Solve the Worlds Biggest Problems

Molecular Dynamics

GPU Accelerated Cryo-EM using RELION: From Workstation to Supercomputer

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Deep Learning Meets Molecular Dynamics: “Predicting Correctness of Protein Complex Binding Operations”- An Interview With Stanford Students

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Molecular Dynamics Simulation with GROMACS on AMD EPYC 7002 Powered Servers

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A Summary of DeepMind’s Protein Folding Upset at CASP13

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Case Studies

Modern drug design discovery enhanced by parallel computing - Western University

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Accelerated cancer research at Notre Dame with GPU clusters.

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We purchased 4 high-end Exxact workstations about 8 months ago. These machines have improved the speed of our data analyses manifold. The workstations have worked right out of the box with all the software we need already setup and ready to use. All 4 workstations have been extremely easy to configure in terms of newer software and any additional hardware. One of the best aspects of the workstation design is how easily the storage space can be expanded. It is literally plug and play and that makes it very scalable in terms data storage and subsequent analysis. We have been using the workstations with Relion, cisTEM and Cryosparc and they have handled all 3 software with ease. Thank you for improving our workflows. We very much appreciate the support we get from Exxact and would love to work and further improve these already awesome workstations.

Vamseedhar Rayaprolu
Research Scientist
La Jolla Institute for Allergy and Immunology

Working closely with Exxact to develop certified AMBER GPU systems has been a pleasure. Their flexibility and responsiveness has allowed us to jointly optimize these computingplatforms that, I believe, deliver transformative increases in performance for moleculardynamics simulation to every lab without the complexities of needing to validate the GPUcomputing hardware.

Ross Walker
AMBER Principal Developer
San Diego Supercomputer Center, UC San Diego


Exxact TensorEX TWS-773645-REL 2x Intel Xeon processor workstation - Relion for Cryo-EM solution
MPN: TWS-773645-REL
Exxact TensorEX TWS-773645-SMD 2x Intel Xeon processor - Schrodinger MD compatible system
MPN: TWS-773645-SMD
Exxact TensorEX TWS-773645-SMS 2x Intel Xeon processor - Schrodinger MS compatible system
MPN: TWS-773645-SMS
Exxact Valence VWF-264602-BIT 1x Intel Core small form factor - Bitplane Certified solution
MPN: VWF-264602-BIT
Exxact Valence VWS-1542881-CRS 1x Intel Core X-series - CryoSPARC Optimized GPU Solution
MPN: VWS-1542881-CRS
Exxact Valence VWS-1542881-NMD 1x Intel Core X-series processor - NAMD Optimized GPU System
MPN: VWS-1542881-NMD
Exxact Valence VWS-1542881-REL 1x Intel Core X-series - Relion for Cryo-EM Solution
MPN: VWS-1542881-REL
Exxact Valence VWS-1690441-AMB 1x Intel Xeon processor workstation - AMBER Certified MD system
MPN: VWS-1690441-AMB
Exxact Valence VWS-1690441-FRC 1x Intel Xeon processor workstation - FastROCS Certified GPU system
MPN: VWS-1690441-FRC
Exxact Valence VWS-1690441-GRO 1x Intel Xeon processor workstation - GROMACS Certified GPU system
MPN: VWS-1690441-GRO
Exxact Valence VWS-1690441-LMP 1x Intel Xeon processor workstation - LAMMPS Certified GPU system
MPN: VWS-1690441-LMP
Exxact Valence VWS-1690441-NMD 1x Intel Xeon processor workstation - NAMD Optimized GPU System
MPN: VWS-1690441-NMD
Exxact Valence VWS-1690441-SCV 1x Intel Xeon processor - Schrodinger CPU Compute and Visualization
MPN: VWS-1690441-SCV
Exxact Valence VWS-1690441-SMD 1x Intel Xeon processor - Schrodinger MD compatible system
MPN: VWS-1690441-SMD
Exxact Valence VWS-1690441-SMS 1x Intel Xeon processor - Schrodinger MS compatible system
MPN: VWS-1690441-SMS
Exxact Valence VWS-286447-BIT 1x Intel Core processor workstation - Bitplane Certified solution
MPN: VWS-286447-BIT