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RDKitjs\n\nPort of RDKit to JavaScript using emscripten and WebAssembly.\n\n# Installation\n\n```bash\nnpm install rdkit\n```\n\n# Usage\n\nTODO\n\n# Development\n\n## Prerequisites\n\nFor now, this library can only be compiled from a Unix system (no Windows).\nYou need to have on your system:\n\n* Node.js 8 or later\n* cmake\n* make\n\n## Emscripten installation & activation\n\nInstall emscripten using those instructions: https://kripken.github.io/emscripten-site/docs/getting_started/downloads.html#linux-and-mac-os-x  \nDo not forget to activate it with `./emsdk activate latest`.\n\n## Installation of dependencies\n\n```bash\nnpm install\nnpm run install-deps\n```\n\nThis will install all required dependencies (including RDKit itself) and compile\nthe RDKit library files.\n\n## Compilation of WebAssembly module\n\n```bash\nnpm run build\n```\n\n## Execute tests\n\n```bash\n# compiles the project and executes tests\nnpm run test\n\n# executes tests without compiling (faster if compilation was already done)\nnpm run test-only\n```\n\n# Want to try it without compilation ? It's already possible\n\nThers is a first example in the visualizer project there:\n\nhttps://www.cheminfo.org/Chemistry/Cheminformatics/RDKit_demo/index.html\n\nYou can draw a molecule in the botton module which will generate the 3D model using MMFF force field.\n\nanother example of javascript can be found there:  \nhttps://iwatobipen.wordpress.com/2015/05/21/rdkit-in-javascript/  \nthanks to iwatobipen!  \nsource code: https://github.com/iwatobipen/rdkit_javascript\n\nYou can also use nodejs:  \nthe current module is available for npm / nodejs:  \nhttps://www.npmjs.com/package/rdkit\n\n# Current stability status\n\nThis project is not stable and still under heavy development.\n\n# Feature requests / help / missing RDKit functions\n\nIf you want to contribute or need RDKit functions not already mapped please add\na comment in the issues of this project.\n","maintainers":[{"email":"targos+npm@protonmail.com","name":"targos"},{"email":"lpatiny@gmail.com","name":"lpatiny"},{"email":"admin@cheminfo.org","name":"cheminfo-bot"},{"email":"kostro.d@gmail.com","name":"stropitek"}],"time":{"modified":"2022-06-25T15:12:50.130Z","created":"2015-05-15T13:54:30.619Z","0.0.1":"2015-05-15T13:54:30.619Z","0.0.2":"2015-05-15T14:40:10.337Z","0.0.3":"2015-05-15T14:46:24.992Z","0.0.4":"2015-05-15T15:35:17.558Z","0.0.5":"2015-05-20T07:04:50.228Z","0.0.6":"2015-05-24T19:58:54.776Z","0.0.7":"2015-05-28T14:09:47.905Z","0.0.8":"2015-08-19T14:47:15.864Z","0.1.1":"2015-09-15T06:43:09.209Z","0.2.0":"2018-02-13T10:57:39.425Z","0.4.0":"2018-02-15T14:18:28.444Z","0.5.0":"2018-03-06T16:39:58.490Z","0.5.1":"2018-03-07T07:41:20.989Z"},"homepage":"https://github.com/cheminfo/RDKitjs","keywords":["rdkit"],"repository":{"type":"git","url":"git+https://github.com/cheminfo/RDKitjs.git"},"contributors":[{"name":"Michaël Zasso"},{"name":"Giuseppe Marco Randazzo"}],"author":{"name":"Guillaume Godin"},"bugs":{"url":"https://github.com/cheminfo/RDKitjs/issues"},"license":"BSD-3-Clause","readmeFilename":"README.md"}