Expertly Engineered
Configured to meet the workflow requirements for Desmond GPU MD Computing and Schrödinger Materials Science Suite MD.
Fully Customizable
Exxact offers a wide range of customizable options from workstations to clusters to meet your budget.
Plug and Play
Every Exxact system ship with the latest version of software installed, built for optimal performance out of the box. Avoid the configuration and setup mess for frictionless deployment.
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
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
Build your ideal system
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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® Data Center 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.
Advantages of Free Energy Perturbation Calculations
Recent advances in force fields and sampling algorithms, along with free energy calculations, can now yield meaningful comparisons with experimental binding affinities. The confluence of these advances is allowing in silico simulations to contribute to real-life drug discovery efforts by providing better synthesis decisions during lead optimization.