Popular repositories Loading

1. 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

   Python 5

2. RevoMol RevoMol Public

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

   Jupyter Notebook 4 2

3. gcf gcf Public

   Generic Cyclic Features (GCF) are descriptors for molecules

   Python 3

4. CustomKetcher CustomKetcher Public

   Forked from epam/ketcher

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

   TypeScript 3

5. mempamal mempamal Public

   MEmPaMaL: Means for EMbarrassingly PArallel MAchine Learning

   Python 2 2

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