Port of RDKit to JavaScript using emscripten and WebAssembly.
npm install rdkit
TODO
For now, this library can only be compiled from a Unix system (no Windows). You need to have on your system:
Install emscripten using those instructions: https://kripken.github.io/emscripten-site/docs/getting_started/downloads.html#linux-and-mac-os-x
Do not forget to activate it with ./emsdk activate latest.
npm install
npm run install-deps
This will install all required dependencies (including RDKit itself) and compile the RDKit library files.
npm run build
# compiles the project and executes tests
npm run test
# executes tests without compiling (faster if compilation was already done)
npm run test-only
Thers is a first example in the visualizer project there:
https://www.cheminfo.org/Chemistry/Cheminformatics/RDKit_demo/index.html
You can draw a molecule in the botton module which will generate the 3D model using MMFF force field.
another example of javascript can be found there:
https://iwatobipen.wordpress.com/2015/05/21/rdkit-in-javascript/
thanks to iwatobipen!
source code: https://github.com/iwatobipen/rdkit_javascript
You can also use nodejs:
the current module is available for npm / nodejs:
https://www.npmjs.com/package/rdkit
This project is not stable and still under heavy development.
If you want to contribute or need RDKit functions not already mapped please add a comment in the issues of this project.
FAQs
RDKit port to JS using emscripten
The npm package rdkit receives a total of 136 weekly downloads. As such, rdkit popularity was classified as not popular.
We found that rdkit demonstrated a not healthy version release cadence and project activity because the last version was released a year ago. It has 6 open source maintainers collaborating on the project.
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