143 citations · 420 across the 9 of their papers we have counts for
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cs.CE2022★ 20 cited
Re-evaluating sample efficiency in de novo molecule generation
Morgan Thomas, Noel M. O'Boyle, Andreas Bender +1
De novo molecule generation can suffer from data inefficiency; requiring large amounts of training data or many sampled data points to conduct objective optimization. The latter is…
stat.ML2022★ 1 cited
Conditional Neural Processes for Molecules
Miguel Garcia-Ortegon, Andreas Bender, Sergio Bacallado
Neural processes (NPs) are models for transfer learning with properties reminiscent of Gaussian Processes (GPs). They are adept at modelling data consisting of few observations of…