2k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
Showing 2018Show all
2 papers · 1 filter
cs.LG2018★ 53 cited
DEFactor: Differentiable Edge Factorization-based Probabilistic Graph Generation
Rim Assouel, Mohamed Ahmed, Marwin H Segler +2
Generating novel molecules with optimal properties is a crucial step in many industries such as drug discovery. Recently, deep generative models have shown a promising way of perfo…
q-bio.QM2018★ 845 cited
GuacaMol: Benchmarking Models for De Novo Molecular Design
Nathan Brown, Marco Fiscato, Marwin H. S. Segler +1
De novo design seeks to generate molecules with required property profiles by virtual design-make-test cycles. With the emergence of deep learning and neural generative models in m…