Accelerating

Molecular Simulations

FEATURES

 

 

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.

SECURITY

 

 

 

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.

NETWORK SECURITY:

No direct outside connections permitted.

SYSTEM SECURITY:

I/O devices on all VMs are disabled.

AUTHENTICATION AUTHORIZATION:

GridMarkets has no access to our customer's environment.

LOGGING MONITORING: 

Auto-scanning of logs for performance and security insights.

CONTENT MANAGEMENT: 

Customer content is purged after 15 days of no access.

TESTIMONIALS

 

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.

PRICING

 

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 Support@GridMarkets.com if you have any questions or would like to purchase credits by a means other than PayPal.

3 STEPS TO SUBMISSION

 

1.

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.​

2.

Install Envoy

 

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.

Envoy explainer .png

3.

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.

MOE how it works.jpg

CONTACT US

 

 

 

Contact us at contact@gridmarkets.com and/or schedule an introductory meeting HERE.

CHEMICAL COMPUTING GROUP

GridMarkets USA
Presidio of San Francisco
P.O. Box 29920
San Francisco, CA  94129

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