Search Results for author: Gourhari Jana

Found 1 papers, 1 papers with code

NeVAE: A Deep Generative Model for Molecular Graphs

2 code implementations14 Feb 2018 Bidisha Samanta, Abir De, Gourhari Jana, Pratim Kumar Chattaraj, Niloy Ganguly, Manuel Gomez-Rodriguez

Moreover, in contrast with the state of the art, our decoder is able to provide the spatial coordinates of the atoms of the molecules it generates.

Bayesian Optimization

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