1 citations · 1 across the 2 of their papers we have counts for
2 papers
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…
stat.ML2021
DOCKSTRING: easy molecular docking yields better benchmarks for ligand design
Miguel García-Ortegón, Gregor N. C. Simm, Austin J. Tripp +3
The field of machine learning for drug discovery is witnessing an explosion of novel methods. These methods are often benchmarked on simple physicochemical properties such as solub…