MOE - Getting Started 

In a few simple steps, set-up and begin submitting your molecular simulations and virtual screens from any MOE workstation.  GridMarkets will then securely run your submissions at scale - and accelerate delivering the results to a  folder that you designate.   The video that follows provides an overview of the setup process.

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MOE Set-Up

1.  Create your free GridMarkets account. Then ten (10) free credits will be added to your account to trial our drug discovery service. (Qualified MOE users will receive 200 free trial credits.)  These credits expire if unused +14 days from account creation.​ 

2.  Download Envoy (learn more) for your operating system (for install tips, see the "Getting Started Guide" video below).  The download includes our SLV plug-in for submitting from the MOE interface.

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3.  Optional: If you prefer to use a Command Line Interface (CLI), also download our CLI:

What is Envoy
 

GridMarkets' Envoy plug-in is the pathway to accelerate even your most complex molecular simulations and virtual screens easily, at scale, and on-demand. 

Our proprietary Envoy interface seamlessly and securely integrates with MOE, NAMD, GROMACS, Amber and QuantumBio. It is built and designed to eliminate the complexity of running computational demanding molecular simulation and screens at scale. No special technical skills or infrastructure are required. With a  simple push-button workflow, Envoy expedites your file transfers to/from GridMarkets Pharma's unique, pay-as-you-go molecular simulations and screening cloud platform. 

If you are having issues . . . please send your Envoy log (under the Portal View menu) to GridMarkets Support 

Envoy release notes . . . view Envoy features that have been added over time

 
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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