MOE Sims w/ Unlimited Tokens



Simple, Fast, Scalable and Secure MOE Simulations. 

Signup and receive $US1000 in free simulation credits


CCG, GridMarkets and several highly experienced computation chemists collaborated on the design and build this secure MOE simulation service.  Our goal was to produce a secure, simple to setup/use, variable cost and scalable solution.  Whether you are a freelance chemist, a CRO a small or large pharma, we built this service with you in mind.  SIGNUP and you will receive free credits to trial the service - and judge for yourself if we have achieved these goals.

  • UNLIMITED RENTED MOE TOKENS - Your local MOE tokens are not used in our process; rather, we provide the tokens as needed on a pay-per-use basis.  That is, GridMarkets dynamically scales the MOE tokens to run as many machines as needed per simulation and to run as many submissions in parallel as needed.  Better, you pay only for the fractional time that our tokens are used. Think of it as renting tokens for as long as needed, while avoiding the annual token fees.

  • PAYMENT OPTIONS - Pay only for what you use by the hour with our "On Demand" option (see HERE), or, by the week with our "Weekly" option (see HERE) and reserve a cluster of machines for a period of weeks at a fixed cost.   


  • DISCOUNTS - CCG enterprise customers and academics receive an 80% discount on the service.  See HERE.


  • SETUP/SUBMISSION - Setup and submit in seconds and directly from MOE by  downloading and installing our plugin.  See HERE.

  • SECURITY - Our service is encrypted and built upon the highly secure Oracle cloud; see HERE.


To  get started:

  • Create a GridMarkets account (see HERE).  When you do, $US1000 worth of simulation credits will be added to your account - sufficient to trial our service and to get a measure of how long your sim will take to complete on GridMarkets.

  • Download and install our Envoy tool and MOE plugin (see below).



GridMarkets' Envoy tool securely 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.  See HERE for an Envoy explainer video.

MOE Plugin


After installing & logging into Envoy, download the zipped submission plugin from the button below, unzip it, and open in MOE.


The video which follows demonstrates how to set up and to submit.  Questions . . . contact us at  Or, if you would like to set up a call, see HERE.




Pricing for our cloud molecular simulations is all inclusive; there are no hidden costs.   That is, pricing covers the cost of (32 threads/110GB) machine(s), data storage, data egress and all simulation software and operating system licenses

*** MOE Enterprise License and academic customers - contact us for special pricing.

Simulation costs are determined by the:

  1. number of concurrently running machines (between 1 and 60), 

  2. the duration of the submission (hourly or weekly).

OnDemand: Pricing by the Hour

The slider below estimates the submission cost per hour with varying concurrent machine counts.


  • EXAMPLE 1: for a MOE submission that uses 10 concurrent machines over a 2-hour period, the cost will be . . .  (10 concurrent machines) * ($37.10/machine-hour) * (2 hours) = $USD742.

  • EXAMPLE 2:  for a MOE submission that uses 1 machine for 3 hours, the cost will be  . . . (1 concurrent machine) * ($55.59/machine-hour) * (3 hours) = $USD167.  





Pricing by the Week

Use the table below to identify the cost for varying machine counts and varying durations in weeks.


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

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


1-week cost
2-week cost
4-week cost
12-week cost
26-week cost
52-week cost












































Submission costs can be paid for using the Paypal option below or via our user portal (a GridMarkets account is required - see HERE).  Contact us if you would like to make other payment arrangements.

ccg  logo.png
gromacs, namd, amber, moe

Amber antibody design Bioinformatics biologics design CCG Cheminformatics cloud molecular modeling simulation dynamics computational chemistry computer aided molecular design Docking drug discovery GROMACS MOE Molecular protein Modeling NAMD virtual ligand screening biologics biologics design biologists biotechnology Chemical Computing Group crystallographers dna modeling Drug Discovery Software fragment-based discovery gpu accelerated molecular simulations Ligand Receptor ligand-based design Medicinal Chemistry medicinal chemists moesaic molecular dynamics simulations in the cloud molecular operating environment molecular simulation molecular simulations in the cloud molecular visualization peptide modeling peptides pharmaceutical pharmacophore Discovery Protein Analysis Protein Modeling Protonate States QSAR rna modeling Scaffold Replacement simulation simulations small molecules structural bioinformatics structural biology structure database structure-based design virtual screening vls openeye orion computational drug discovery