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  1. RevoMol RevoMol Public

    Reimplementation of the evolutionary algorithm for molecular property optimisation EvoMol (original code : https://github.com/jules-leguy/EvoMol)

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  2. PredictionRMN PredictionRMN Public

    Full-stack app for predicting and visualizing NMR spectra from molecular structures — includes a molecular drawing editor, and a spectrum analysis tool

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    Generic Cyclic Features (GCF) are descriptors for molecules

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  4. CustomKetcher CustomKetcher Public

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    A custom version of the Web-based molecule sketcher from EPAM for our own project

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    MEmPaMaL: Means for EMbarrassingly PArallel MAchine Learning

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  6. PredictionRMN-Models PredictionRMN-Models Public

    Développement des modèles et gestion des datasets JSON pour la prédiction des spectres RMN (1H et 13C) utilisés dans l’application PredictionRMN.

    Python 2