Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

29 Nov 2018Daniil PolykovskiyAlexander ZhebrakBenjamin Sanchez-LengelingSergey GolovanovOktai TatanovStanislav BelyaevRauf KurbanovAleksey ArtamonovVladimir AladinskiyMark VeselovArtur KadurinSergey NikolenkoAlan Aspuru-GuzikAlex Zhavoronkov

Deep generative models such as generative adversarial networks, variational autoencoders, and autoregressive models are rapidly growing in popularity for the discovery of new molecules and materials. In this work, we introduce MOlecular SEtS (MOSES), a benchmarking platform to support research on machine learning for drug discovery... (read more)

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