Calculators LabsCode Examples
Using the Calculators Plugin API in Java
Our official documentation contains a handful of examples on how to use ElementalAnalyserPlugin, IUPACNamingPlugin, Protonation and others in Java:
Go to list of examples:
https://docs.chemaxon.com/display/docs/plugin-api-usage-examples.md
Calculators AWS Marketplace
A proof of concept was built to demonstrate a simple workflow that can be built using Calculators on AWS Marketplace. The workflow contains the following steps:
- parsing molecular structures from an S3 bucket and sending them to an SQS
- calculating CNS-MPO scores with Calculators on AWS Marketplace
- storing the calculated results in a DynamoDB table filtering molecules based on their CNS-MPO scores (test)
Go to example:
ChemAxon Calculators as AWS Lambda functions
The current Chemaxon Java API distribution is a monolithic; no subset / module selection is supported. This project demonstrates a way to cherry pick the required jars for a limited set of functionalities, thus making it perfect for a fast and reduced sized lambda function in AWS.
Go to example: