We Should at Least Be Able to Design Molecules That Dock Well

20 June 2020

Papers citing "We Should at Least Be Able to Design Molecules That Dock Well"

5 / 5 papers shown

Title
Structure-aware generation of drug-like molecules Pavol Drotár Arian R. Jamasb Ben Day Cătălina Cangea Pietro Lió 20 15 0 07 Nov 2021
DOCKSTRING: easy molecular docking yields better benchmarks for ligand design Miguel García-Ortegón G. Simm Austin Tripp José Miguel Hernández-Lobato A. Bender S. Bacallado 30 73 0 29 Oct 2021
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 181 878 0 07 Jun 2018
GLUE: A Multi-Task Benchmark and Analysis Platform for Natural Language Understanding Alex Jinpeng Wang Amanpreet Singh Julian Michael Felix Hill Omer Levy Samuel R. Bowman ELM 294 6,927 0 20 Apr 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 208 1,329 0 12 Feb 2018