SCHRÖDINGER MS COMPATIBLE SYSTEMS
THE LATEST NVIDIA GPUSFULL TURNKEY SOLUTIONS 3 YEAR WARRANTY & SUPPORT
Schrödinger Materials Science Suite and Desmond MD Compatible System Highlights
Engineered to meet the most demanding MS workloads including; EOS calculations and thermophysical properties, solubility parameters and explicit mixing simulations, elastic constants, and mechanical properties, etc.
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 Schrödinger MS solutions from workstations to clusters to meet your budget.
PLUG AND PLAY
Exxact Schrödinger MS workstations and servers are fully turnkey, built to perform right out of the box to save time from installing, optimizing, and validating.
HIGH PERFORMANCE
Schrödinger MS servers and workstations optimized to meet or exceed the published performance numbers
PREINSTALLED
Desmond GPU computing solutions, are engineered in collaboration with Schrödinger.
SLURM WORKLOAD MANAGER
For workload scheduling & queuing so multiple researchers can submit jobs that run when resources are available.
Mark Berger
Senior Alliance Manager, Life & Material Sciences, NVIDIA Corporation
Suggested Schrödinger MS Systems
Entry-Level
Valence Workstation
VWS-1690441-SMS
Mid-Range
Tensor Workstation
TWS-1686525-SMSHigh-End
Tensor Workstation
TWS-1686525-SMSSCHRÖDINGER SOFTWARE STACK
Canvas, Desmond, KNIME Extensions, MacroModel, Maestro, MOPAC2012, MS Combi, MS Jaguar, OPLS3, Quantum ESPRESSO Interface
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Accelerating Materials Science Simulation with NVIDIA GPUs
GPU computing has been widely used to accelerate compute intensive simulations and push the boundaries of analysis and discovery. The manycore platform of NVIDIA® Tesla® GPUs provides the computational power far outpacing that of the typical CPU. Scientists and engineers can achieve supercomputer scale performance from their own desktop or HPC/data center to run larger systems, many more systems or for longer simulation timeframes.
FEP+ Performance: Pertubations/Day/Card
Desmond:
High-Performance Molecular Dynamics Simulations for Biomolecular System
Many biological phenomena of scientific and pharmaceutical interest occur on time scales that are computationally demanding to simulate. A high-performance Molecular Dynamics code, together with continuously advancing computer hardware technologies, can be used to perform simulations on time scales that illuminate these important biological processes. Desmond, created by D. E. Shaw Research, provides an unprecedented combination of parallel scalability, simulation throughput, and scientific accuracy to achieve these goals.
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DeepChem: Explore Drug Discovery with Deep Learning
Deep Chem is a powerful new open source deep learning framework that offers a feature-rich set of functionality for applying deep learning to problems in drug discovery and cheminformatics.
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