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README.md

RDKit for Node.js Examples

The following sub-repository is dedicated to showcasing the functionalities of RDKit.js on the server-side in a Node.js environment.

Contributing

First, fork the RDKit.js GitHub repository and run the remaining instructions from your fork.

Dependencies

  • Git
  • Node >= 14.x
  • Yarn 1.22.19

Installation and local development server

Run the following command to install the RDKit.js project.

git clone https://github.com/<name of your fork>/rdkit-js.git && \
cd rdkit-js && \
yarn install && \
cd examples/node

You can now run all the available examples in this folder with the following command:

node examples/<name_of_the_example>.js

Example for the descriptors example would be:

node examples/descriptors_calculation.js

Contributing examples

All examples are written in the ./examples/node/examples folder.

To add a new example, make sure to respect the following checklist:

  1. Start a new git branch from the master branch and give it a meaningful name
  2. Create a new js file in the ./examples/node/examples, give it a meaningful name, and implement your node example in this file.
  3. Make sure you formatted your code with npm run format.

Refer to any other react example in examples/node/examples if you are unusure about any of the steps above.

Once you're done, make a pull request to the master branch of the main RDKit.js repository, and wait for the review!