Molecular Simulations


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 L., PhD, President & Founder, biotech startup



We offer On Demand and Subscription pricing options.

  • On Demand - consume as many machines for as long as your project requires. 

  • Subscription - select a fixed number of machines  for a predetermined time period.

For both options, there are no hidden fees.  That is, all cost are covered in our pricing including the cost of machines, software licenses, data storage and data egress.  Also, both options leverage up to 60 machines each with 32 threads and 110 GB of ram.  (Contact us at if you need larger numbers or sizes of machines.  Details of both pricing options follow.

On Demand Pricing: Select between 1 to 60 concurrently running machines (need more?  drop us a line at   Use the slider (see below) to determine the per machine-hour cost for your choice of machine concurrency.  We have provided two pricing examples to help illustrate.  Note that a "machine-hour" is defined as one machine running for one hour while a "submission-hour" is defined as a project submission that runs for one hour.,

On Demand pricing examples: 


  • EXAMPLE 1: for a submission that uses 10 concurrent machines over a 2-hour period, the cost will be . . .  (10 concurrent machines) * ($19.32/machine-hour) * (2 hours) = $USD386.

  • EXAMPLE 2:  for a submission that uses 1 machine for 3 hours, the cost will be  . . . (1 concurrent machine) * ($38.59/machine-hour) * (3 hours) = $USD115.  


Subscription Pricing: Select between 5 to 60 concurrently running machines for either a 2, 4, 12, 26 or 52 week period.  The table below shows the choices available and the all inclusive pricing (in USD) for each choice.

Subscription pricing examples: 


  • EXAMPLE 1: Choose 5 machines for a 12 week period for a total cost of $USD 49,301.

  • EXAMPLE 2: Choose 10 machines for a 26 week period for a total cost of $USD 149,936.





When using the subscription option, we will invoice you.  When using the On Demand option, purchase credits from below or from our user portal (a GridMarkets account is required - see HERE).  Note that one GridMarkets credit costs $1USD. A positive credit balance is needed to submit a job to us.  




Get a GridMarkets Account & Trial Credits

Register here for a free account and (10) free trial credits - which expire if unused +14 days from account creation.​


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


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 at and/or schedule an introductory meeting HERE.

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

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