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1. gablg1/ORGAN gablg1/ORGAN Public

   Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models

   Python 237 83

2. aspuru-guzik-group/ORGANIC aspuru-guzik-group/ORGANIC Public

   Code repo for optimizing distributions of molecules.

   Jupyter Notebook 127 63

3. aspuru-guzik-group/chemical_vae aspuru-guzik-group/chemical_vae Public

   Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

   Python 490 183

4. dataDrivenChemistry dataDrivenChemistry Public

   AC 209 Data Science Final project - A data driven, Quantum Mechanical understanding of Chemistry AKA Trying to make sense of 134k quantum calculations

   CSS 15 11