Overview
The MQS REST-API allows the user to screen for chemicals in the permanent MQS database which consists of 210 million geometry optimized molecular structures. Further, the user can send job calculations through the API to have solubility, viscosity and partition coefficient values calculated. Phase equilibria calculations are also supported including vapour-liquid-, liquid-liquid and solid-liquid-equilibria. The API allows the user to perform a high-throughput screening of the molecules in the database to calculate the before mentioned properties and also to define new molecular structures.
Highlights
- Quantum chemistry based property prediction of chemicals/molecules
- High throughput screening of chemicals
Details
Typical total price
$0.336/hour
Pricing
Free trial
Instance type | Product cost/hour | EC2 cost/hour | Total/hour |
|---|---|---|---|
t2.xlarge Recommended | $0.15 | $0.186 | $0.336 |
m3.2xlarge | $0.20 | $0.532 | $0.732 |
m5.4xlarge | $0.23 | $0.768 | $0.998 |
Additional AWS infrastructure costs
Type | Cost |
|---|---|
EBS General Purpose SSD (gp2) volumes | $0.10/per GB/month of provisioned storage |
Vendor refund policy
No refunds
Legal
Vendor terms and conditions
Content disclaimer
Delivery details
64-bit (x86) Amazon Machine Image (AMI)
Amazon Machine Image (AMI)
An AMI is a virtual image that provides the information required to launch an instance. Amazon EC2 (Elastic Compute Cloud) instances are virtual servers on which you can run your applications and workloads, offering varying combinations of CPU, memory, storage, and networking resources. You can launch as many instances from as many different AMIs as you need.
Version release notes
Initial release
Additional details
Usage instructions
See https://mqs.dk/AWS_product_instructions.txt and/or additional publishing notes / instructions for the AWS Marketplace team in this product form.
Resources
Vendor resources
Support
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