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Set of scripts and notebook to proceed to the batch classification of structures (InChI, SMILES or InChIKey) against ClassyFire framework.

softs

softs

Repository to store DLCM Jupyter Notebooks

A simple workshop for guidance on how to use Model-Twin Randomization method.

Binder implementation: https://mybinder.org/v2/git/https%3A%2F%2Fgitlab.unige.ch%2Fqol%2Fmotr-workshop.git/HEAD