Amber Molecular Simulations at Scale
Purpose Built to Power Drug Discovery. Are your local molecular dynamics and simulation licenses and compute resources limited? Do you need to scale your molecular mechanical force fields simulations? GridMarkets has a turnkey solution for scaling Amber simulations. Setup in (literally) seconds and submit to our cloud clusters using a simple command line interface. Easily manage the unique timelines and budgets for any drug discovery projects — on a pay-as-you-use basis.
Want to learn more? Interested in a demo? Have questions? We look forward to meeting you over a virtual coffee.
Accelerate your Amber Sims
From protein dynamics to peptide modeling and everything in-between, run molecular simulations at scale and concurrently. We provide the CPU and GPU powered machines and licenses needed — without impact to your local Amber md simulation resources. The following performance benchmarks are indicative of what to expect when running Amber 22 sims on GridMarkets.
JAC Production NVE 4fs
- Low (A4000)
- 808.51 ns/day
- Medium (A5000)
- 1020.60 ns/day
- High (A6000)
- 1087.85 ns/day
STMV Production NPT
- Low (A4000)
- 19.99 ns/day
- Medium (A5000)
- 29.80 ns/day
- High (A6000)
- 35.85 ns/day
Where "Low", "Medium" and "High" refer to our machine configurations — Low: A4000 + 8vCPU + 16GB. Medium: A5000 + 16vCPU + 32GB. High: A6000 + 24vCPU + 48GB.
Easy Setup and Submit
Easily set-up and launch molecular dynamics simulations in seconds. Use our easy-to-use submission GUI or command line interface to access thousands of high-performance servers running Amber. Results are automatically downloaded — no end-user management of machines, data, or licenses is required.
Ready to run your first Amber job?
Setup in seconds, submit over a simple command line interface, and let GridMarkets handle the rest.