DOCKSTRING: easy molecular docking yields better benchmarks for ligand design

1 code implementation • 29 Oct 2021 • Miguel García-Ortegón, Gregor N. C. Simm, Austin J. Tripp, José Miguel Hernández-Lobato, Andreas Bender, Sergio Bacallado

The field of machine learning for drug discovery is witnessing an explosion of novel methods.

Drug Discovery Molecular Docking +2