Maintained by Zakodium

OpenChemLib JS

JavaScript port of the OpenChemLib Java library.

Installation

npm install openchemlib
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Documentation

• Generated API documentation
• Web examples

Development

To build this project, you need:

• Java JDK (Tested with version 21)
• GWT (Tested with version 2.12.2, Download build here)
• Node.js (Tested with version 22, Download here)

Install dependencies

npm ci
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Configure directories

Copy config.default.json to config.json and put the path to the GWT classes on your computer.
If you want to use a custom JDK installation, set the "jdk" key to be the path to your JDK directory.

npm scripts

To run one of the scripts, use npm run <scriptName>.
To pass additional options, use npm run <scriptName> -- --option.

build-java

Compile and export the Java API.

copy-openchemlib

Copy the required java files from the openchemlib project.

License

BSD-3-Clause