Accelerate comprehensive virtual molecular simulations to reach clinical trials faster and with greater confidence. Chemical Computing Group and GridMarkets have partnered to deliver a fast and simple MOE simulation service - running MOE v2019.
SIMPLE: Easily setup/submit from any MOE workstation.
FAST: Securely run large or many molecular simulations in parallel.
SCALABLE: Access unlimited MOE tokens - avoid local machine lockup.
VARIABLE COST: Pay for the simulation time consumed.
Our simulation service is simple to use, fast, scalable AND secure. Here are a few examples of the precautions that we have taken to secure the platform - contact us if interested in a deep dive.
No direct outside connections permitted.
I/O devices on all VMs are disabled.
GridMarkets has no access to our customer's environment.
Auto-scanning of logs for performance and security insights.
Customer content is purged after 15 days of no access.
GridMarkets provides an off-the-shelf tool for easy access to cloud-based high performance computing for computational chemistry. The promise of being able to spin up a job to run on hundreds of CPUs with just a few mouse clicks will fundamentally change the way we work. Furthermore, this will lead to the democratization of HPC access to smaller pharmas and biotechs who can't afford software licensing for compute clusters or a dedicated cloud specialist to manage the instances
David L, Senior Director of Structural Chemistry, major global pharmaceutical
GridMarkets’ platform enables us to show how modifications improve protein therapeutic behavior using realistic, aesthetic animations.
Russ Lehrman, PhD, President & Founder of BioSuperior Technology, Inc.
Our service is priced by the machine-hour (to the nearest machine-second) which covers all costs including: (MOE, operating system, other) licenses, 50 Gb of storage (for 15 days from submission), data ingress/egress, (8 threads/48 Gb) machine time and support. By default, we offer between 1 to 60 machines - contact us if 60+ is needed.
Per the chart below, the cost of a machine-hour decreases as machine concurrency (the number of machines assigned to a submisison) increases. If one machine is used to run a submission, the cost per hour of that one machine is $USD250. If a submission runs on 10 machines at a time, the hourly rate for each of those 10 machines is $USD110.
PRICING EXAMPLES: Two examples follow - to help explain our pricing:
EXAMPLE 1: for a submission that uses 10 concurrent machines over a 2-hour period, the cost will be . . . (10 concurrent machines) * ($110/machine-hour) * (2 hours) = $USD2,200.
EXAMPLE 2: for a submission that uses 1 machine for 3 hours, the cost will be . . . (1 concurrent machine) * ($250/machine-hour) * (3 hours) = $750.
PRICING CALCULATOR: The slider below identifies the machine-hour cost (in USD) and the submission-hour cost (i.e. how long a submission runs - the "wall clock" time) for varying concurrent machine counts. Move the GridMarkets logo left-right to increase/decrease the concurrent machine count and to see the corresponding machine-hour and submission hour costs.
CREDITS: GridMarkets credits are used to pay for our service, where one GridMarkets credit costs $1USD. A positive credit balance is needed to submit a job to us.
PURCHASING CREDITS: Credits can be purchased in a number of ways, including via PayPal (below). Purchased credits do not expire - but free trial credits do 14 days after signup. Contact us at if you have any questions or would like to purchase credits by a means other than PayPal.
3 STEPS TO SUBMISSION
Get a GridMarkets Account & Trial Credits
Register here for a free account and (20) free trial credits - which expire if unused +14 days from account creation.
GridMarkets' Envoy tool manages the upload of project files & download of results. Use the buttons that follow to download the right version of Envoy for your operating system. The video below describes how to set up Envoy; see HERE for a few of the key points.
Install the MOE plugin
Download our zipped MOE plugin and test SVL files from the button below. Start MOE and:
Open the GridMarkets MOE submission plug-in by clicking File -> Open and open the downloaded ‘sub2gmGUI.svl' file.
A box (like below) asking for your GridMarkets Email and Access Key should appear. Click "Submit" to continue.
You should now see the main GridMarkets-Pharma GUI; follow the directions in the "MOE Submission Walkthrough" video below.