I whipped up something quick and dirty: https://colab.research.google.com/drive/18esebASwEfPviu-zn9xIs1fwmED-7Yi3?usp=sharing
On 13 Jun 2020, at 10.54, theozh <the...@gmx.net<mailto:the...@gmx.net>> wrote: Dear RDKit-Community, is there maybe a way with RDKit to generate random (but valid) molecules with a given chemical sumformula? For example: C12H9N could generate Carbazole as valid compound. The output would be mol or SMILES. I haven't found (yet) anything in this direction in the RDKit documentation and in the web. But maybe I overlooked some modules, functions or examples which could be the base for realizing such a random generator? Thank you for any hints, Theo. _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net<mailto:Rdkit-discuss@lists.sourceforge.net> https://eur02.safelinks.protection.outlook.com/?url=https%3A%2F%2Flists.sourceforge.net%2Flists%2Flistinfo%2Frdkit-discuss&data=02%7C01%7Cjhjensen%40chem.ku.dk%7Cd1bccb857aae435de30d08d80f77988f%7Ca3927f91cda14696af898c9f1ceffa91%7C0%7C0%7C637276353634109727&sdata=7SdlYbVb3eA8pH%2BJq7X%2FO6nfnkz8I%2B5FiGxvc99VZm8%3D&reserved=0
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